diff --git a/R/RecalFunctions.R b/R/RecalFunctions.R index 78f71d1..d5a8ca0 100644 --- a/R/RecalFunctions.R +++ b/R/RecalFunctions.R @@ -1,3 +1,6 @@ +O_mass <- 15.9949146223 +H2_mass <- 2.01565 + #' Plot Spectrum Function #' #' This function generates a mass spectrum plot using ggplot2. @@ -72,21 +75,27 @@ processMassList <- function(data) { #' @param kmd_col The column name for KMD in both datasets. #' @param z_col The column name for Z in both datasets. #' @param num_col The column name to store the calculated number of compounds. -#' @param type The column name to store the type of compound. +#' @param type_col The column name to store the type of compound. +#' @param type A molecule type of the annotation. +#' @param multiplier The multiplier for the num column. +#' @param element_mass The mass of the group used for correction. #' @param step_limit The limit for considering compounds. #' @param remove_indices Indices of rows to be removed from the result. #' #' @return A processed dataset with updated abundance and type columns. -processKnown <- function(rest, known, kmd_col, z_col, num_col, type, step_limit, remove_indices) { +processKnown <- function(rest, known, kmd_col, z_col, num_col, type_col, type, multiplier, element_mass, step_limit, remove_indices) { names(known)[2] <- "base_mass" step_result <- merge(rest, known, by.x = c(kmd_col, z_col), by.y = c(kmd_col, z_col)) - step_result[[num_col]] <- round((step_result$Exp_mass - step_result$base_mass) / step_limit) - step_result[[type]] <- step_result[[type]] + step_result[[num_col]] - step_result$Type <- type - step_result$form <- paste(step_result[c("C", "H", "O", "N", "S", "P", "E", "S34", "N15", "D", "Cl", "Fl", "Cl37", "M", "NH4", "POE", "NOE")], sep = "_") + step_result[[num_col]] <- round((step_result$Exp_mass - step_result$base_mass) / element_mass) + step_result[[type_col]] <- step_result[[type_col]] + step_result[[num_col]]*multiplier + step_result$Type <- type + step_result <- dplyr::mutate( + step_result, + form=paste(C, H, O, N, S, P, E, S34, N15, D, Cl, Fl, Cl37, M, NH4, POE, NOE, sep="_") + ) step_result <- step_result[abs(step_result[[num_col]]) <= step_limit, ] - step_result <- step_result[-remove_indices, ] + step_result <- step_result[-remove_indices] return(step_result) } @@ -217,10 +226,10 @@ Recal <- function(df, ############ # Picking recalibrants with series # Process known_O - Step2 <- processKnown(Rest, RecalList[c(1:21, 24, 25)], "KMD_O", "z_O", "O_num", "O", step_O, c(10, 31)) + Step2 <- processKnown(Rest, RecalList[c(1:21, 24, 25)], "KMD_O", "z_O", "O_num", "O", "O", 1, O_mass, step_O, c(10, 31)) # Process known_H2 - Step3 <- processKnown(Rest, RecalList[c(1:21, 27, 28)], "KMD_H2", "z_H2", "H2_num", "H2", step_H2, c(10, 31)) + Step3 <- processKnown(Rest, RecalList[c(1:21, 27, 28)], "KMD_H2", "z_H2", "H2_num", "H", "H2", 2, H2_mass, step_H2, c(10, 31)) Out <- rbind(Step2, Step3) Out2 <- dplyr::distinct(Out, Exp_mass) @@ -287,33 +296,11 @@ Recal <- function(df, ############ # Picking recalibrants with series - knownO <- RecalList[c(1:22, 25, 26)] - names(knownO)[2] <- "base_mass" - Step2 <- merge(Rest, knownO, by.x = c("KMD_O", "z_O"), by.y = c("KMD_O", "z_O")) - Step2$O_num <- round(((Step2$Exp_mass - Step2$base_mass)) / 15.9949146223) - Step2$O <- Step2$O + Step2$O_num - Step2$Type <- "O" - Step2$form <- paste(Step2$C, Step2$H, Step2$O, Step2$N, Step2$S, Step2$P, Step2$E, Step2$S34, - Step2$N15, Step2$D, Step2$Cl, Step2$Fl, Step2$Cl37, Step2$M, Step2$NH4, - Step2$POE, Step2$NOE, - sep = "_" - ) - Step2 <- Step2[abs(Step2$O_num) <= step_O, ] - Step2 <- Step2[-c(11, 13, 33)] # - - knownH2 <- RecalList[c(1:22, 28, 29)] - names(knownH2)[2] <- "base_mass" - Step3 <- merge(Rest, knownH2, by.x = c("KMD_H2", "z_H2"), by.y = c("KMD_H2", "z_H2")) - Step3$H2_num <- round(((Step3$Exp_mass - Step3$base_mass)) / 2.01565) - Step3$H <- Step3$H + 2 * Step3$H2_num - Step3$Type <- "H2" - Step3$form <- paste(Step3$C, Step3$H, Step3$O, Step3$N, Step3$S, Step3$P, Step3$E, Step3$S34, - Step3$N15, Step3$D, Step3$Cl, Step3$Fl, Step3$Cl37, Step3$M, Step3$NH4, - Step3$POE, Step3$NOE, - sep = "_" - ) - Step3 <- Step3[abs(Step3$H2_num) <= step_H2, ] - Step3 <- Step3[-c(11, 13, 33)] + # Process known O16 + Step2 <- processKnown(Rest, RecalList[c(1:22, 25, 26)], "KMD_O", "z_O", "O_num", "O", "O", 1, O_mass, step_O, c(11, 13, 33)) + + # Process known_H2 + Step3 <- processKnown(Rest, RecalList[c(1:22, 28, 29)], "KMD_H2", "z_H2", "H2_num", "H", "H2", 2, H2_mass, step_H2, c(11, 13, 33)) Out <- rbind(Step2, Step3) Out2 <- dplyr::distinct(Out, Exp_mass, .keep_all = TRUE) diff --git a/tests/testthat/test-RecalFunctions.R b/tests/testthat/test-RecalFunctions.R index 0e176d5..f31e799 100644 --- a/tests/testthat/test-RecalFunctions.R +++ b/tests/testthat/test-RecalFunctions.R @@ -56,3 +56,29 @@ patrick::with_parameters_test_that("RecalList works", }, mode = c("neg", "pos"), ) + +test_that("Replicate the Recal bug", { + unambig <- read.delim("test-data/bug_unambig.tabular") + mono <- read.delim("test-data/bug_mono.tabular") + iso <- read.delim("test-data/bug_iso.tabular") + recallist <- read.delim("test-data/bug_recalseries.tabular") + + actual <- MFAssignR::Recal( + df = unambig, + peaks = mono, + isopeaks = iso, + mode = "neg", + SN = 6*346.0706, + series1 = recallist$Series[1], + series2 = recallist$Series[2], + series3 = recallist$Series[3], + series4 = recallist$Series[4], + series5 = recallist$Series[5], + step_O = 3, + step_H2 = 5, + mzRange = 50, + CalPeak = 150 + ) + expected <- readRDS("test-data/bug_recal_expected.rds") + expect_equal(actual, expected) +}) \ No newline at end of file diff --git a/tests/testthat/test-data/bug_iso.tabular b/tests/testthat/test-data/bug_iso.tabular new file mode 100644 index 0000000..8a49e7a --- /dev/null +++ b/tests/testthat/test-data/bug_iso.tabular @@ -0,0 +1,2302 @@ +"exp_mass" "abundance" "tag" +104.0070156 4456.096316 "C13" +108.053629 5007.123594 "C13" 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a/tests/testthat/test-data/bug_recal_expected.rds b/tests/testthat/test-data/bug_recal_expected.rds new file mode 100644 index 0000000..65a07c9 Binary files /dev/null and b/tests/testthat/test-data/bug_recal_expected.rds differ diff --git a/tests/testthat/test-data/bug_recalseries.tabular b/tests/testthat/test-data/bug_recalseries.tabular new file mode 100644 index 0000000..f6326b7 --- /dev/null +++ b/tests/testthat/test-data/bug_recalseries.tabular @@ -0,0 +1,11 @@ +Series Number Observed Series Index Mass Range Mass Range Tall Peak Abundance Score Peak Score Peak Distance Series Score Series.Length +O4_H_6 14 103 151.004 333.207 179.0352238 1347.124466 0.096439869 1.00111645 0 182.203 +O5_H_6 15 91 166.999 363.218 181.014483 1345.311175 0.219813559 1.001114971 1.001042857 196.219 +O5_H_3 23 8 130.999 439.343 187.0613762 706.3585809 0.146331752 1.001114671 1.001068323 308.344 +O8_H_9 20 31 264.999 545.312 307.0462284 167.8511629 0.024394037 1.00111495 1.051117857 280.313 +O15_H_16 12 140 545.059 741.276 601.121273 217.4595769 0.083105684 1.001094936 1.251291667 196.217 +O16_H_15 10 152 535.037 731.257 605.116233 233.6567098 0.060976847 1.0011269 1.501571429 196.22 +O7_H_8 24 7 222.988 531.334 279.0514647 128.4538171 0.045809193 1.001103743 0.959363095 308.346 +O5_H_8 15 93 190.999 387.218 261.0770837 125.021483 0.001496104 1.0011176 1.001042857 196.219 +O6_H_3 25 1 161.009 511.401 175.0250456 575.899321 0.265579242 1.001113371 1.04112 350.392 +O5_H_7 16 75 178.999 389.234 207.0300758 560.3193775 0.101317043 1.001114986 1.001049107 210.235 diff --git a/tests/testthat/test-data/bug_unambig.tabular b/tests/testthat/test-data/bug_unambig.tabular new file mode 100644 index 0000000..482fdc2 --- /dev/null +++ b/tests/testthat/test-data/bug_unambig.tabular @@ -0,0 +1,3097 @@ +"abundance" "exp_mass" "formula" "class" "group" "C" "H" "O" "N" "S" "P" "E" "S34" "N15" "D" "Cl" "Fl" "Cl37" "Br" "Br81" "I" "M" "NH4" "POE" "NOE" "Z" "neutral_mass" "theor_mass" "err_ppm" "AE_ppm" "NM" "KM" "KMD" "DBE" "O_C" "H_C" "DBEO" "max_LA" "actual_LA" "rule_13" "max_H" "H_test" "C13_mass" "C13_abund" "C13_mass2" "C13_abund2" "S34_mass" "S34_abund" "tag" +554241.643424 101.0245026 "C4H6O3" "O3" "CHO" 4 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 102.03177905216 101.02441760614 0.833013604228028 0.83 101 100.911697737886 0.0883022621141407 2 0.75 1.5 -1 7.84859185063846 7 0.9 10 0.6 0 0 0 0 0 0 "Unambiguous" +5260.846328 101.0397389 "C8H6" "" "CH" 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 102.04701535216 101.03967373924 0.638536656629219 0.64 101 100.926917024897 0.0730829751028352 6 0 0.75 6 7.84976539933846 8 1 18 0.3 0 0 0 0 0 0 "Unambiguous" +117582.410495 101.0608853 "C5H10O2" "O2" "CHO" 5 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 102.06816175216 101.06080311144 0.805232097603324 0.81 101 100.948039812638 0.051960187361999 1 0.4 2 -1 7.85139073566154 7 0.9 12 0.8 0 0 0 0 0 0 "Unambiguous" +3031040.910316 103.0037471 "C3H4O4" "O4" "CHO" 3 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 104.01102355216 103.00368216464 0.624312287134724 0.62 103 102.888732195795 0.111267804204587 2 1.33333333333333 1.33333333333333 -2 8.00084297052308 7 0.9 8 0.5 104.0070156 4456.096316 0 0 0 0 "Unambiguous" +322803.811112 103.0401174 "C4H8O3" "O3" "CHO" 4 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 104.04739385216 103.04006766994 0.477955844658028 0.48 103 102.925061884394 0.0749381156064857 1 0.75 2 -2 8.00364185554615 7 0.9 10 0.8 0 0 0 0 0 0 "Unambiguous" +383114.873771 105.0193815 "C3H6O4" "O4" "CHO" 3 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 106.02665795216 105.01933222844 0.464709167990717 0.46 105 104.902115920418 0.0978840795824709 1 1.33333333333333 2 -3 8.15589297543077 7 0.9 8 0.8 0 0 0 0 0 0 "Unambiguous" +51653.279713 105.0346989 "C7H6O" "O" "CHO" 7 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 106.04197535216 105.03458836154 1.04240287513821 1.04 105 104.917416216872 0.0825837831281575 5 0.142857142857143 0.857142857142857 4 8.15706652413077 8 1 16 0.4 0 0 0 0 0 0 "Unambiguous" +4473.763205 105.0709976 "C8H10" "" "CH" 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 106.07827405216 105.07097386684 0.223732523968711 0.22 105 104.953674385419 0.0463256145808515 4 0 1.25 4 8.15986540915385 8 1 18 0.6 0 0 0 0 0 0 "Unambiguous" +531124.216993 107.0502941 "C7H8O" "O" "CHO" 7 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 108.05757055216 107.05023842534 0.515231461521032 0.52 107 106.930760785265 0.0692392147349636 4 0.142857142857143 1.14285714285714 3 8.31211652903846 8 1 16 0.5 108.053629 5007.123594 0 0 0 0 "Unambiguous" +1445362.939874 109.0295504 "C6H6O2" "O2" "CHO" 6 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 110.03682685216 109.02950298384 0.430911735256968 0.43 109 108.907807029999 0.0921929700013919 4 0.333333333333333 1 2 8.46436764892308 8 0.9 14 0.4 110.0329375 14818.785436 0 0 0 0 "Unambiguous" +156307.411766 109.0659194 "C7H10O" "O" "CHO" 7 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 110.07319585216 109.06588848914 0.2808209551057 0.28 109 108.944135420048 0.0558645799517024 3 0.142857142857143 1.42857142857143 2 8.46716653394615 8 0.9 16 0.6 0 0 0 0 0 0 "Unambiguous" +680668.43228 111.0088371 "C5H4O3" "O3" "CHO" 5 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 112.01611355216 111.00876754234 0.620961197387595 0.62 111 110.884883640787 0.115116359212749 4 0.6 0.8 1 8.61661876880769 8 0.9 12 0.3 0 0 0 0 0 0 "Unambiguous" +721622.666424 111.0452047 "C6H8O2" "O2" "CHO" 6 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 112.05248115216 111.04515304764 0.460965785573997 0.46 111 110.9212106324 0.0787893675997964 3 0.333333333333333 1.33333333333333 1 8.61941765383077 8 0.9 14 0.6 112.0484748 6159.545214 0 0 0 0 "Unambiguous" +80383.133605 111.0815799 "C7H12O" "O" "CHO" 7 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 112.08885635216 111.08153855294 0.368877525710693 0.37 111 110.957545215527 0.0424547844730796 2 0.142857142857143 1.71428571428571 1 8.62221653885385 8 0.9 16 0.8 0 0 0 0 0 0 "Unambiguous" +6432.358853 112.9880736 "C4H2O4" "O4" "CHO" 4 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 113.99535005216 112.98803210084 0.364042568282818 0.36 113 112.86191010763 0.138089892370317 4 1 0.5 0 8.76886988869231 8 0.9 10 0.2 0 0 0 0 0 0 "Unambiguous" +2850266.94532 113.0244754 "C5H6O3" "O3" "CHO" 5 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 114.03175185216 113.02441760614 0.506822521535434 0.51 113 112.898271261055 0.101728738945397 3 0.6 1.2 0 8.77166877371538 8 0.9 12 0.5 114.0278486 16709.647292 0 0 0 0 "Unambiguous" +452572.207416 113.0608623 "C6H10O2" "O2" "CHO" 6 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 114.06813875216 113.06080311144 0.518887751083887 0.52 113 112.934617531117 0.0653824688830014 2 0.333333333333333 1.66666666666667 0 8.77446765873846 8 0.9 14 0.7 114.0643024 6464.681819 0 0 0 0 "Unambiguous" +2005669.569467 115.0037553 "C4H4O4" "O4" "CHO" 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 116.01103175216 115.00368216464 0.630417287846085 0.63 115 114.875341079436 0.124658920563803 3 1 1 -1 8.9239198936 8 0.9 10 0.4 116.0071334 7176.709642 0 0 0 0 "Unambiguous" +1428929.975562 115.0401427 "C5H8O3" "O3" "CHO" 5 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 116.04741915216 115.04006766994 0.646546563168569 0.65 115 114.91168784894 0.0883121510597107 2 0.6 1.6 -1 8.92671877862308 8 0.9 12 0.7 116.043512 13137.684937 0 0 0 0 "Unambiguous" +90615.932975 115.0764987 "C6H12O2" "O2" "CHO" 6 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 116.08377515216 115.07645317524 0.392171601394196 0.39 115 114.948003253506 0.0519967464940976 1 0.333333333333333 2 -1 8.92951766364615 8 0.9 14 0.9 0 0 0 0 0 0 "Unambiguous" +10572240.683901 117.0194055 "C4H6O4" "O4" "CHO" 4 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 118.02668195216 117.01933222844 0.620805048488476 0.62 117 116.888740586416 0.111259413584108 2 1 1.5 -2 9.07896989850769 8 0.9 10 0.6 118.0227103 51865.191905 0 0 0 0 "Unambiguous" +446305.47963 117.0346666 "C8H6O" "O" "CHO" 8 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 118.04194305216 117.03458836154 0.662802203763973 0.66 117 116.903984645735 0.0960153542647078 6 0.125 0.75 5 9.08014344720769 9 1 18 0.3 118.0380142 2800.828616 0 0 0 0 "Unambiguous" +157196.488078 117.0557443 "C5H10O3" "O3" "CHO" 5 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 118.06302075216 117.05571773374 0.225017620427136 0.23 117 116.925038810187 0.0749611898128251 1 0.6 2 -2 9.08176878353077 8 0.9 12 0.8 0 0 0 0 0 0 "Unambiguous" +3637.264772 118.9987885 "C3H4O5" "O5" "CHO" 3 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 120.00606495216 118.99859678694 1.59752809227849 1.6 119 118.865913389675 0.134086610324886 2 1.66666666666667 1.33333333333333 -3 9.23122101839231 8 0.9 8 0.5 0 0 0 0 0 0 "Unambiguous" +228391.813783 119.0350579 "C4H8O4" "O4" "CHO" 4 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 120.04233435216 119.03498229224 0.629842466977843 0.63 119 118.902142290939 0.0978577090609463 1 1 2 -3 9.23401990341538 8 0.9 10 0.8 0 0 0 0 0 0 "Unambiguous" +1076608.467297 119.0503342 "C8H8O" "O" "CHO" 8 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 120.05761065216 119.05023842534 0.79773918101732 0.8 119 118.917401533286 0.0825984667140034 5 0.125 1 4 9.23519345211538 9 1 18 0.4 120.0537738 14796.627662 0 0 0 0 "Unambiguous" +10277789.327796 121.0295853 "C7H6O2" "O2" "CHO" 7 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 122.03686175216 121.02950298384 0.674518820033508 0.67 121 120.894442583826 0.105557416174079 5 0.285714285714286 0.857142857142857 3 9.387444572 9 1 16 0.4 122.0329592 179328.108723 0 0 0 0 "Unambiguous" +440812.493725 121.0659774 "C8H10O" "O" "CHO" 8 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 122.07325385216 121.06588848914 0.7283402152456 0.73 121 120.930794048082 0.0692059519180503 4 0.125 1.25 3 9.39024345702308 9 1 18 0.6 122.0693623 2899.093512 0 0 0 0 "Unambiguous" +542843.880475 123.0088911 "C6H4O3" "O3" "CHO" 6 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 124.01616755216 123.00876754234 0.996302840529712 1 123 122.871538273287 0.128461726712644 5 0.5 0.666666666666667 2 9.53969569188462 9 0.9 14 0.3 0 0 0 0 0 0 "Unambiguous" +2163838.088444 123.045235 "C7H8O2" "O2" "CHO" 7 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 124.05251145216 123.04515304764 0.660626367385944 0.66 123 122.907841591364 0.0921584086360667 4 0.285714285714286 1.14285714285714 2 9.54249457690769 9 0.9 16 0.5 124.0485445 33052.278385 0 0 0 0 "Unambiguous" +304631.592104 123.081673 "C8H12O" "O" "CHO" 8 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 124.08894945216 123.08153855294 1.08347327127308 1.08 123 122.944238904368 0.0557610956323913 3 0.125 1.5 2 9.54529346193077 9 0.9 18 0.7 0 0 0 0 0 0 "Unambiguous" +2664767.109157 125.0245105 "C6H6O3" "O3" "CHO" 6 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 126.03178695216 125.02441760614 0.737066911931103 0.74 125 124.884907014659 0.115092985341391 4 0.5 1 1 9.69474569679231 9 0.9 14 0.4 126.0278885 14395.156184 0 0 0 0 "Unambiguous" +3368160.55129 125.0608948 "C7H10O2" "O2" "CHO" 7 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 126.06817125216 125.06080311144 0.727293487959378 0.73 125 124.921250687624 0.0787493123758196 3 0.285714285714286 1.42857142857143 1 9.69754458181539 9 0.9 16 0.6 126.0642477 59905.778677 0 0 0 0 "Unambiguous" +148791.357489 125.0972727 "C8H14O" "O" "CHO" 8 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 126.10454915216 125.09718861674 0.666774201022197 0.67 125 124.957587967736 0.0424120322639396 2 0.125 1.75 1 9.70034346683846 9 0.9 18 0.8 0 0 0 0 0 0 "Unambiguous" +1249697.808687 127.0037756 "C5H4O4" "O4" "CHO" 5 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 128.01105205216 127.00368216464 0.729900727448991 0.73 127 126.861962049566 0.138037950433983 4 0.8 0.8 0 9.84699681667692 9 0.9 12 0.3 128.0070143 2360.979723 0 0 0 0 "Unambiguous" +5131504.569317 127.040153 "C6H8O3" "O3" "CHO" 6 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 128.04742945216 127.04006766994 0.66639416645897 0.67 127 126.898298830236 0.1017011697638 3 0.5 1.33333333333333 0 9.8497957017 9 0.9 14 0.6 128.0435257 87839.496551 0 0 0 0 "Unambiguous" +863053.104069 127.076555 "C7H12O2" "O2" "CHO" 7 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 128.08383145216 127.07645317524 0.794985275301292 0.79 127 126.934660183438 0.0653398165622008 2 0.285714285714286 1.71428571428571 0 9.85259458672308 9 0.9 16 0.8 128.0800253 2761.834443 0 0 0 0 "Unambiguous" +2156.595724 127.1129895 "C8H16O" "O" "CHO" 8 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 128.12026595216 127.11283868054 1.177170987608 1.18 127 126.97105400035 0.0289459996504036 1 0.125 2 0 9.85539347174615 9 0.9 18 0.9 0 0 0 0 0 0 "Unambiguous" +10988610.110587 129.019429 "C5H6O4" "O4" "CHO" 5 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 130.02670545216 129.01933222844 0.744243728034476 0.74 129 128.875364752973 0.124635247027442 3 0.8 1.2 -1 10.0020468215846 9 0.9 12 0.5 130.0228124 141119.214179 0 0 0 0 "Unambiguous" +2263424.487913 129.0558018 "C6H10O3" "O3" "CHO" 6 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 130.06307825216 129.05571773374 0.646349918293129 0.65 129 128.911696938779 0.0883030612208415 2 0.5 1.66666666666667 -1 10.0048457066077 9 0.9 14 0.7 130.0591587 12716.284915 0 0 0 0 "Unambiguous" +14220.662021 129.0711513 "C10H10" "" "CH" 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 130.07842775216 129.07097386684 1.3640475446742 1.36 129 128.92702929939 0.0729707006096874 6 0 1 6 10.0060192553077 10 1 22 0.5 0 0 0 0 0 0 "Unambiguous" +63682.429614 129.0921989 "C7H14O2" "O2" "CHO" 7 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 130.09947535216 129.09210323904 0.735290897527736 0.74 129 128.948053397452 0.0519466025478721 1 0.285714285714286 2 -1 10.0076445916308 9 0.9 16 0.9 0 0 0 0 0 0 "Unambiguous" +435505.46615 130.9986907 "C4H4O5" "O5" "CHO" 4 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 132.00596715216 130.99859678694 0.71143041504017 0.71 131 130.852416391676 0.147583608323572 3 1.25 1 -2 10.1542979414692 9 0.9 10 0.4 0 0 0 0 0 0 "Unambiguous" +10311330.094815 131.0350838 "C5H8O4" "O4" "CHO" 5 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 132.04236025216 131.03498229224 0.768751481065861 0.77 131 130.888768854816 0.111231145184149 2 0.8 1.6 -2 10.1570968264923 9 0.9 12 0.7 132.0384714 95437.340501 0 0 0 0 "Unambiguous" +439443.361969 131.0503175 "C9H8O" "O" "CHO" 9 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 132.05759395216 131.05023842534 0.598789192314884 0.6 131 130.90398554473 0.0960144552696534 6 0.111111111111111 0.888888888888889 5 10.1582703751923 10 1 20 0.4 132.0538954 5247.943137 0 0 0 0 "Unambiguous" +229336.294769 131.0714866 "C6H12O3" "O3" "CHO" 6 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 132.07876305216 131.07136779754 0.899481924531228 0.9 131 130.925131007124 0.0748689928758495 1 0.5 2 -2 10.1598957115154 9 0.9 14 0.9 0 0 0 0 0 0 "Unambiguous" +3389976.09121 133.014344 "C4H6O5" "O5" "CHO" 4 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 134.02162045216 133.01424685074 0.724877521047653 0.72 133 132.865818995195 0.134181004805356 2 1.25 1.5 -3 10.3093479463769 9 0.9 10 0.6 134.0177253 21470.3932 0 0 0 0 "Unambiguous" +1042462.119425 133.0296276 "C8H6O2" "O2" "CHO" 8 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 134.03690405216 133.02950298384 0.929715296612817 0.93 133 132.88108552939 0.118914470609639 6 0.25 0.75 4 10.3105214950769 10 1 18 0.3 134.0329419 22341.89118 0 0 0 0 "Unambiguous" +172811.449853 133.0507543 "C5H10O4" "O4" "CHO" 5 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 134.05803075216 133.05063235604 0.909635620469931 0.91 133 132.902188639128 0.0978113608716171 1 0.8 2 -3 10.3121468314 9 0.9 12 0.8 0 0 0 0 0 0 "Unambiguous" +822936.378846 133.0659843 "C9H10O" "O" "CHO" 9 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 134.07326075216 133.06588848914 0.714615721668751 0.71 133 132.917401633174 0.082598366825664 5 0.111111111111111 1.11111111111111 4 10.3133203801 10 1 20 0.5 134.0693359 31321.476717 0 0 0 0 "Unambiguous" +88075.678316 135.0089584 "C7H4O3" "O3" "CHO" 7 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 136.01623485216 135.00876754234 1.40319764198191 1.4 135 134.858206190937 0.141793809063444 6 0.428571428571429 0.571428571428571 3 10.4627726149615 10 1 16 0.2 0 0 0 0 0 0 "Unambiguous" +596040.829369 135.0300169 "C4H8O5" "O5" "CHO" 4 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 136.03729335216 135.02989691454 0.88200416993397 0.88 135 134.879241176827 0.120758823172679 1 1.25 2 -4 10.4643979512846 9 0.9 10 0.8 0 0 0 0 0 0 "Unambiguous" +8813164.290151 135.0452503 "C8H8O2" "O2" "CHO" 8 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 136.05252675216 135.04515304764 0.714814802256962 0.71 135 134.894457567077 0.105542432923215 5 0.25 1 3 10.4655714999846 10 1 18 0.4 136.0486563 187719.551845 0 0 0 0 "Unambiguous" +202094.489172 135.081682 "C9H12O" "O" "CHO" 9 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 136.08895845216 135.08153855294 1.05406832140535 1.05 135 134.930848587115 0.069151412884878 4 0.111111111111111 1.33333333333333 3 10.4683703850077 10 1 20 0.6 0 0 0 0 0 0 "Unambiguous" +13496124.895728 137.0245347 "C7H6O3" "O3" "CHO" 7 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 138.03181115216 137.02441760614 0.848310683132997 0.85 137 136.871531880434 0.12846811956635 5 0.428571428571429 0.857142857142857 2 10.6178226198692 10 0.9 16 0.4 138.0278936 212482.612749 0 0 0 0 "Unambiguous" +812000.158841 137.0609324 "C8H10O2" "O2" "CHO" 8 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 138.06820885216 137.06080311144 0.936410786223454 0.94 137 136.907888938437 0.0921110615633154 4 0.25 1.25 2 10.6206215048923 10 0.9 18 0.6 138.0643713 10219.031894 0 0 0 0 "Unambiguous" +103229.867505 137.0972984 "C9H14O" "O" "CHO" 9 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 138.10457485216 137.09718861674 0.79492848168511 0.79 137 136.944214331836 0.0557856681638214 3 0.111111111111111 1.55555555555556 2 10.6234203899154 10 0.9 20 0.7 0 0 0 0 0 0 "Unambiguous" +301352.631739 139.003822 "C6H4O4" "O4" "CHO" 6 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 140.01109845216 139.00368216464 0.998744824963891 1 139 138.848609090552 0.151390909447656 5 0.666666666666667 0.666666666666667 1 10.7700737397538 10 0.9 14 0.3 0 0 0 0 0 0 "Unambiguous" +1217628.672032 139.0401828 "C7H8O3" "O3" "CHO" 7 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 140.04745925216 139.04006766994 0.822078891146928 0.82 139 138.884929289758 0.115070710241781 4 0.428571428571429 1.14285714285714 1 10.7728726247769 10 0.9 16 0.5 140.0435239 19468.959595 0 0 0 0 "Unambiguous" +485800.857427 139.0765538 "C8H12O2" "O2" "CHO" 8 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 140.08383025216 139.07645317524 0.718318165726089 0.72 139 138.921259677575 0.0787403224252898 3 0.25 1.5 1 10.7756715098 10 0.9 18 0.7 0 0 0 0 0 0 "Unambiguous" +16497.9531 139.113081 "C9H16O" "O" "CHO" 9 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 140.12035745216 139.11283868054 1.72936655605232 1.73 139 138.957746090977 0.0422539090231453 2 0.111111111111111 1.77777777777778 1 10.7784703948231 10 0.9 20 0.8 0 0 0 0 0 0 "Unambiguous" +1441065.549507 141.0194763 "C6H6O4" "O4" "CHO" 6 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 142.02675275216 141.01933222844 1.01439733869575 1.01 141 140.862012692954 0.137987307046046 4 0.666666666666667 1 0 10.9251237446615 10 0.9 14 0.4 142.0228528 34045.319843 0 0 0 0 "Unambiguous" +1460174.871148 141.0558563 "C7H10O3" "O3" "CHO" 7 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 142.06313275216 141.05571773374 0.975385079104679 0.98 141 140.898352070721 0.101647929279068 3 0.428571428571429 1.42857142857143 0 10.9279226296846 10 0.9 16 0.6 142.059206 15866.748653 0 0 0 0 "Unambiguous" +6406.637481 141.0709923 "C11H10" "" "CH" 11 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 142.07826875216 141.07097386684 0.129739474979819 0.13 141 140.913471169728 0.0865288302718739 7 0 0.909090909090909 7 10.9290961783846 11 1 24 0.4 0 0 0 0 0 0 "Unambiguous" +216579.106306 141.0923105 "C8H14O2" "O2" "CHO" 8 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 142.09958695216 141.09210323904 1.45856131211785 1.46 141 140.934765565636 0.0652344343644415 2 0.25 1.75 0 10.9307215147077 10 0.9 18 0.8 0 0 0 0 0 0 "Unambiguous" +102390.90188 142.9987887 "C5H4O5" "O5" "CHO" 5 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 144.00606515216 142.99859678694 1.3326734523607 1.33 143 142.839114975046 0.16088502495424 4 1 0.8 -1 11.0773748645462 10 0.9 12 0.3 0 0 0 0 0 0 "Unambiguous" +4370710.829896 143.0351423 "C6H8O4" "O4" "CHO" 6 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 144.04241875216 143.03498229224 1.11083777534311 1.11 143 142.875427982291 0.1245720177088 3 0.666666666666667 1.33333333333333 -1 11.0801737495692 10 0.9 14 0.6 144.0385289 55736.570131 0 0 0 0 "Unambiguous" +308751.492426 143.0503686 "C10H8O" "O" "CHO" 10 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 144.05764505216 143.05023842534 0.903628960153519 0.9 143 142.890637280469 0.109362719531362 7 0.1 0.8 6 11.0813472982692 11 1 22 0.4 144.0537022 3878.6431 0 0 0 0 "Unambiguous" +530911.415914 143.0715107 "C7H12O3" "O3" "CHO" 7 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 144.07878715216 143.07136779754 0.991835528485379 0.99 143 142.911755773011 0.0882442269891044 2 0.428571428571429 1.71428571428571 -1 11.0829726345923 10 0.9 16 0.8 144.0748976 24563.689461 0 0 0 0 "Unambiguous" +240181.387664 143.1079292 "C8H16O2" "O2" "CHO" 8 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 144.11520565216 143.10775330284 1.22053158242013 1.22 143 142.948133607788 0.051866392211565 1 0.25 2 -1 11.0857715196154 10 0.9 18 0.9 0 0 0 0 0 0 "Unambiguous" +3975743.304928 145.0144245 "C5H6O5" "O5" "CHO" 5 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 146.02170095216 145.01424685074 1.21659492279207 1.22 145 144.852500098105 0.147499901895401 3 1 1.2 -2 11.2324248694538 10 0.9 12 0.5 146.0179092 31076.834577 0 0 0 0 "Unambiguous" +361886.409171 145.0296855 "C9H6O2" "O2" "CHO" 9 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 146.03696195216 145.02950298384 1.2497942820073 1.25 145 144.867744057536 0.132255942464326 7 0.222222222222222 0.666666666666667 5 11.2335984181538 11 1 20 0.3 146.0330466 3294.757545 0 0 0 0 "Unambiguous" +2048146.776675 145.0508032 "C6H10O4" "O4" "CHO" 6 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 146.05807965216 145.05063235604 1.16969879643082 1.17 145 144.888838177323 0.11116182267682 2 0.666666666666667 1.66666666666667 -2 11.2352237544769 10 0.9 14 0.7 146.0541436 37571.64149 0 0 0 0 "Unambiguous" +158703.416903 145.0660051 "C10H10O" "O" "CHO" 10 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 146.07328155216 145.06588848914 0.798303829184155 0.8 145 144.904023102746 0.0959768972541326 6 0.1 1 5 11.2363973031769 11 1 22 0.5 0 0 0 0 0 0 "Unambiguous" +115376.570486 145.0871371 "C7H14O3" "O3" "CHO" 7 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 146.09441355216 145.08701786134 0.816175356100953 0.82 145 144.925131506566 0.0748684934341384 1 0.428571428571429 2 -2 11.2380226395 10 0.9 16 0.9 0 0 0 0 0 0 "Unambiguous" +48390.20887 147.0089809 "C8H4O3" "O3" "CHO" 8 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 148.01625735216 147.00876754234 1.44144747227478 1.44 147 146.84482935861 0.155170641390157 7 0.375 0.5 4 11.3858495380385 11 1 18 0.2 0 0 0 0 0 0 "Unambiguous" +7509891.950218 147.0300726 "C5H8O5" "O5" "CHO" 5 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 148.03734905216 147.02989691454 1.186764429021 1.19 147 146.865897507429 0.134102492570804 2 1 1.6 -3 11.3874748743615 10 0.9 12 0.7 148.0334332 69186.683975 0 0 0 0 "Unambiguous" +1091567.57423 147.0453291 "C9H8O2" "O2" "CHO" 9 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 148.05260555216 147.04515304764 1.1891203087017 1.19 147 146.881136971885 0.118863028115015 6 0.222222222222222 0.888888888888889 4 11.3886484230615 11 1 20 0.4 148.0487306 44880.888415 0 0 0 0 "Unambiguous" +38126.260404 147.0664928 "C6H12O4" "O4" "CHO" 6 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 148.07376925216 147.06628241984 1.42077939291301 1.42 147 146.902277040308 0.0977229596915095 1 0.666666666666667 2 -3 11.3902737593846 10 0.9 14 0.9 0 0 0 0 0 0 "Unambiguous" +179860.113592 147.0817233 "C10H12O" "O" "CHO" 10 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 148.08899975216 147.08153855294 1.24754073765791 1.25 147 146.917490533796 0.0825094662038737 5 0.1 1.2 4 11.3914473080846 11 1 22 0.5 0 0 0 0 0 0 "Unambiguous" +1075414.930984 149.0246194 "C8H6O3" "O3" "CHO" 8 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 150.03189585216 149.02441760614 1.34500639926311 1.35 149 148.858217178654 0.141782821346141 6 0.375 0.75 3 11.5408995429462 11 1 18 0.3 150.0280513 19419.783063 0 0 0 0 "Unambiguous" +137930.065193 149.0457589 "C5H10O5" "O5" "CHO" 5 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 150.05303535216 149.04554697834 1.41231171717098 1.41 149 148.879333074099 0.120666925900679 1 1 2 -4 11.5425248792692 10 0.9 12 0.8 0 0 0 0 0 0 "Unambiguous" +1337622.50603 149.060997 "C9H10O2" "O2" "CHO" 9 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 150.06827345216 149.06080311144 1.29200233678206 1.29 149 148.894554159101 0.105445840899307 5 0.222222222222222 1.11111111111111 3 11.5436984279692 11 1 20 0.5 150.0644033 32341.569867 0 0 0 0 "Unambiguous" +45430.484844 149.0973397 "C10H14O" "O" "CHO" 10 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 150.10461615216 149.09718861674 1.00651974513698 1.01 149 148.930856278517 0.0691437214827886 4 0.1 1.4 3 11.5464973129923 11 1 22 0.6 0 0 0 0 0 0 "Unambiguous" +41216.836681 151.0039754 "C7H4O4" "O4" "CHO" 7 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 152.01125185216 151.00368216464 1.92903720238856 1.93 151 150.835363012062 0.164636987938479 6 0.571428571428571 0.571428571428571 2 11.6931506628308 11 0.9 16 0.2 0 0 0 0 0 0 "Unambiguous" +4485014.778375 151.0402997 "C8H8O3" "O3" "CHO" 8 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 152.04757615216 151.04006766994 1.52603590189768 1.53 151 150.871646752024 0.128353247976378 5 0.375 1 2 11.6959495478538 11 0.9 18 0.4 152.0436818 130232.018778 0 0 0 0 "Unambiguous" +320699.231959 151.0767038 "C9H12O2" "O2" "CHO" 9 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 152.08398025216 151.07645317524 1.64793661745202 1.65 151 150.90801020288 0.0919897971196519 4 0.222222222222222 1.33333333333333 2 11.6987484328769 11 0.9 20 0.6 152.0799976 3672.097051 0 0 0 0 "Unambiguous" +27871.288788 151.1130972 "C10H16O" "O" "CHO" 10 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 152.12037365216 151.11283868054 1.69944008023257 1.7 151 150.944362965685 0.0556370343152253 3 0.1 1.6 2 11.7015473179 11 0.9 22 0.7 0 0 0 0 0 0 "Unambiguous" +5524439.179371 153.0195786 "C7H6O4" "O4" "CHO" 7 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 154.02685505216 153.01933222844 1.59953639196502 1.6 153 152.848715571522 0.151284428478192 5 0.571428571428571 0.857142857142857 1 11.8482006677385 11 0.9 16 0.4 0 0 0 0 0 0 "Unambiguous" +634037.230299 153.055958 "C8H10O3" "O3" "CHO" 8 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 154.06323445216 153.05571773374 1.55953015557396 1.56 153 152.885054349959 0.114945650041221 4 0.375 1.25 1 11.8509995527615 11 0.9 18 0.6 154.0593503 8132.542192 0 0 0 0 "Unambiguous" +146370.81906 153.0923511 "C9H14O2" "O2" "CHO" 9 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 154.09962755216 153.09210323904 1.60844619769083 1.61 153 152.921406813098 0.0785931869017986 3 0.222222222222222 1.55555555555556 1 11.8537984377846 11 0.9 20 0.7 0 0 0 0 0 0 "Unambiguous" +232175.623162 154.9987667 "C6H4O5" "O5" "CHO" 6 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 156.00604315216 154.99859678694 1.08914409065671 1.09 155 154.825693692408 0.174306307591877 5 0.833333333333333 0.666666666666667 0 12.0004517876231 11 0.9 14 0.3 156.0023788 2628.769779 0 0 0 0 "Unambiguous" +1729687.510376 155.0350943 "C7H8O4" "O4" "CHO" 7 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 156.04237075216 155.03498229224 0.717803500865109 0.72 155 154.861980728685 0.13801927131459 4 0.571428571428571 1.14285714285714 0 12.0032506726462 11 0.9 16 0.5 156.038637 10362.134372 0 0 0 0 "Unambiguous" +506845.081012 155.0715029 "C8H12O3" "O3" "CHO" 8 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 156.07877935216 155.07136779754 0.86560428373218 0.87 155 154.898348674517 0.101651325482578 3 0.375 1.5 0 12.0060495576692 11 0.9 18 0.7 156.0751486 2368.367859 0 0 0 0 "Unambiguous" +36744.767978 155.1079655 "C9H16O2" "O2" "CHO" 9 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 156.11524195216 155.10775330284 1.35923409756137 1.36 155 154.934770560052 0.0652294399475011 2 0.222222222222222 1.77777777777778 0 12.0088484426923 11 0.9 20 0.8 0 0 0 0 0 0 "Unambiguous" +3052657.260838 157.0144518 "C6H6O5" "O5" "CHO" 6 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 158.02172825216 157.01424685074 1.29696885524567 1.3 157 156.839128060418 0.160871939581853 4 0.833333333333333 1 -1 12.1555017925308 11 0.9 14 0.4 158.0179082 45435.8093 0 0 0 0 "Unambiguous" +3198063.734124 157.0508233 "C7H10O4" "O4" "CHO" 7 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 158.05809975216 157.05063235604 1.20806184737097 1.21 157 156.875458947676 0.124541052323679 3 0.571428571428571 1.42857142857143 -1 12.1583006775538 11 0.9 16 0.6 158.0542913 81017.040706 0 0 0 0 "Unambiguous" +280743.031316 157.0660786 "C11H10O" "O" "CHO" 11 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 158.07335505216 157.06588848914 1.20267492220187 1.2 157 156.890697213472 0.109302786527934 7 0.0909090909090909 0.909090909090909 6 12.1594742262538 12 1 24 0.4 158.0693557 7091.250618 0 0 0 0 "Unambiguous" +646702.704527 157.0871746 "C8H14O3" "O3" "CHO" 8 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 158.09445105216 157.08701786134 0.991424170505315 0.99 157 156.91176965749 0.0882303425100019 2 0.375 1.75 -1 12.1610995625769 11 0.9 18 0.8 158.0905014 15979.400948 0 0 0 0 "Unambiguous" +22653.039574 157.123465 "C9H18O2" "O2" "CHO" 9 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 158.13074145216 157.12340336664 0.389762037749205 0.39 157 156.948019535305 0.0519804646948216 1 0.222222222222222 2 -1 12.1638984476 11 0.9 20 0.9 0 0 0 0 0 0 "Unambiguous" +8442.468106 158.9938064 "C5H4O6" "O6" "CHO" 5 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 160.00108285216 158.99351140924 1.84367977236585 1.84 159 158.816272495389 0.183727504610914 4 1.2 0.8 -2 12.3077529124154 11 0.9 12 0.3 0 0 0 0 0 0 "Unambiguous" +7235696.576934 159.0301255 "C6H8O5" "O5" "CHO" 6 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 160.03740195216 159.02989691454 1.4283252365957 1.43 159 158.852551041158 0.14744895884246 3 0.833333333333333 1.33333333333333 -2 12.3105517974385 11 0.9 14 0.6 160.0335686 114503.948254 0 0 0 0 "Unambiguous" +736171.146901 159.0453591 "C10H8O2" "O2" "CHO" 10 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 160.05263555216 159.04515304764 1.28740372995748 1.29 159 158.867767631184 0.13223236881629 7 0.2 0.8 5 12.3117253461385 12 1 22 0.4 160.0488072 19775.784555 0 0 0 0 "Unambiguous" +1813890.789614 159.0665046 "C7H12O4" "O4" "CHO" 7 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 160.07378105216 159.06628241984 1.38798595581387 1.39 159 158.88888951993 0.111110480070494 2 0.571428571428571 1.71428571428571 -2 12.3133506824615 11 0.9 16 0.8 160.0698068 20545.489284 0 0 0 0 "Unambiguous" +128723.424998 159.0817442 "C11H12O" "O" "CHO" 11 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 160.08902065216 159.08153855294 1.28457941189121 1.28 159 158.904112103256 0.0958878967439887 6 0.0909090909090909 1.09090909090909 5 12.3145242311615 12 1 24 0.5 0 0 0 0 0 0 "Unambiguous" +214909.311695 159.1029271 "C8H16O3" "O3" "CHO" 8 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 160.11020355216 159.10266792514 1.61872794013862 1.62 159 158.925271350241 0.0747286497594075 1 0.375 2 -2 12.3161495674846 11 0.9 18 0.9 0 0 0 0 0 0 "Unambiguous" +10738599.419091 161.0093983 "C5H6O6" "O6" "CHO" 5 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 162.01667475216 161.00916147304 1.46174435658277 1.46 161 160.829613767467 0.170386232532934 3 1.2 1.2 -3 12.4628029173231 11 0.9 12 0.5 162.0127361 113409.27471 0 0 0 0 "Unambiguous" +957584.555544 161.0246596 "C9H6O3" "O3" "CHO" 9 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 162.03193605216 161.02441760614 1.49349483757112 1.49 161 160.844858026563 0.155141973436827 7 0.333333333333333 0.666666666666667 4 12.4639764660231 12 1 20 0.3 162.0280362 24756.319836 0 0 0 0 "Unambiguous" +9050117.77206 161.0457644 "C6H10O5" "O5" "CHO" 6 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 162.05304085216 161.04554697834 1.34166973274752 1.34 161 160.865939260755 0.134060739245058 2 0.833333333333333 1.66666666666667 -3 12.4656018023462 11 0.9 14 0.7 162.0491537 109363.797417 0 0 0 0 "Unambiguous" +1433296.716879 161.0610042 "C10H10O2" "O2" "CHO" 10 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 162.06828065216 161.06080311144 1.24076444320357 1.24 161 160.881162043858 0.118837956141874 6 0.2 1 4 12.4667753510462 12 1 22 0.5 162.0643344 64287.701864 0 0 0 0 "Unambiguous" +70799.715867 161.0822496 "C7H14O4" "O4" "CHO" 7 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 162.08952605216 161.08193248364 1.95642721483801 1.96 161 160.902383721055 0.0976162789453099 1 0.571428571428571 2 -3 12.4684006873692 11 0.9 16 0.9 0 0 0 0 0 0 "Unambiguous" +122304.946767 161.0973968 "C11H14O" "O" "CHO" 11 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 162.10467325216 161.09718861674 1.28425205663381 1.28 161 160.917514007556 0.0824859924441625 5 0.0909090909090909 1.27272727272727 4 12.4695742360692 12 1 24 0.6 0 0 0 0 0 0 "Unambiguous" +530036.439572 163.0039361 "C8H4O4" "O4" "CHO" 8 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 164.01121255216 163.00368216464 1.5482804867765 1.55 163 162.821924448741 0.178075551258786 7 0.5 0.5 3 12.6162275859077 12 1 18 0.2 164.007302 2767.854692 0 0 0 0 "Unambiguous" +1509261.981328 163.0250478 "C5H8O6" "O6" "CHO" 5 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 164.03232425216 163.02481153684 1.44034513378008 1.44 163 162.843012575228 0.156987424771586 2 1.2 1.6 -4 12.6178529222308 11 0.9 12 0.7 164.0284285 21363.889983 0 0 0 0 "Unambiguous" +6792528.155312 163.0402937 "C9H8O3" "O3" "CHO" 9 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 164.04757015216 163.04006766994 1.37783241659852 1.38 163 162.85824145152 0.141758548479743 6 0.333333333333333 0.888888888888889 3 12.6190264709308 12 1 20 0.4 164.0436838 170775.556013 0 0 0 0 "Unambiguous" +182041.315177 163.0614431 "C6H12O5" "O5" "CHO" 6 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 164.06871955216 163.06119704214 1.49972438776853 1.5 163 162.879367235911 0.120632764088725 1 0.833333333333333 2 -4 12.6206518072538 11 0.9 14 0.9 0 0 0 0 0 0 "Unambiguous" +1298259.356256 163.0766781 "C10H12O2" "O2" "CHO" 10 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 164.08395455216 163.07645317524 1.37079070661535 1.37 163 162.894585224374 0.105414775625803 5 0.2 1.2 3 12.6218253559538 12 1 22 0.5 164.0800809 53147.682061 0 0 0 0 "Unambiguous" +57782.27129 163.1131318 "C11H16O" "O" "CHO" 11 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 164.12040825216 163.11283868054 1.78600250339557 1.79 163 162.930998219847 0.0690017801529166 4 0.0909090909090909 1.45454545454545 3 12.6246242409769 12 1 24 0.7 0 0 0 0 0 0 "Unambiguous" +32392383.667441 165.0195935 "C8H6O4" "O4" "CHO" 8 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 166.02686995216 165.01933222844 1.57367033478402 1.57 165 164.835331147681 0.164668852318641 6 0.5 0.75 2 12.7712775908154 12 0.9 18 0.3 166.0229219 823930.134554 0 0 0 0 "Unambiguous" +257477.073879 165.0406585 "C5H10O6" "O6" "CHO" 5 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 166.04793495216 165.04046160064 1.18579830606387 1.19 165 164.856372626314 0.14362737368586 1 1.2 2 -5 12.7729029271385 11 0.9 12 0.8 0 0 0 0 0 0 "Unambiguous" +2826318.302477 165.0559358 "C9H10O3" "O3" "CHO" 9 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 166.06321225216 165.05571773374 1.31315212453215 1.31 165 164.871632867544 0.128367132455537 5 0.333333333333333 1.11111111111111 2 12.7740764758385 12 0.9 20 0.5 166.0593187 99566.830603 0 0 0 0 "Unambiguous" +242249.403341 165.0923267 "C10H14O2" "O2" "CHO" 10 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 166.09960315216 165.09210323904 1.34534313002671 1.35 165 164.90798313314 0.0920168668595522 4 0.2 1.4 2 12.7768753608615 12 0.9 22 0.6 166.0955046 2294.307362 0 0 0 0 "Unambiguous" +13378.361138 165.1287171 "C11H18O" "O" "CHO" 11 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 166.13599355216 165.12848874434 1.37451045445748 1.37 165 164.944332899295 0.0556671007053069 3 0.0909090909090909 1.63636363636364 2 12.7796742458846 12 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +105909.200684 166.9988959 "C7H4O5" "O5" "CHO" 7 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 168.00617235216 166.99859678694 1.78036946989322 1.78 167 166.812423440939 0.187576559060773 6 0.714285714285714 0.571428571428571 1 12.9235287107 12 0.9 16 0.2 0 0 0 0 0 0 "Unambiguous" +8371420.759213 167.0352389 "C8H8O4" "O4" "CHO" 8 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 168.04251535216 167.03498229224 1.52704069842175 1.53 167 166.848725860021 0.15127413997925 5 0.5 1 1 12.9263275957231 12 0.9 18 0.4 168.0386049 2184.059254 0 0 0 0 "Unambiguous" +23264.695113 167.0504733 "C12H8O" "O" "CHO" 12 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 168.05774975216 167.05023842534 1.3975830351597 1.4 167 166.863943249154 0.136056750846393 9 0.0833333333333333 0.666666666666667 8 12.9275011444231 13 1 26 0.3 0 0 0 0 0 0 "Unambiguous" +831775.581771 167.0716033 "C9H12O3" "O3" "CHO" 9 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 168.07887975216 167.07136779754 1.40114248937018 1.4 167 166.885049655207 0.114950344793158 4 0.333333333333333 1.33333333333333 1 12.9291264807462 12 0.9 20 0.6 168.0746638 11273.608699 0 0 0 0 "Unambiguous" +157500.864753 167.107978 "C10H16O2" "O2" "CHO" 10 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 168.11525445216 167.10775330284 1.3365661595642 1.34 167 166.921383738892 0.0786162611081238 3 0.2 1.6 1 12.9319253657692 12 0.9 22 0.7 0 0 0 0 0 0 "Unambiguous" +3291.114538 167.1440298 "C11H20O" "O" "CHO" 11 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 168.15130625216 167.14413880814 -0.648274119569148 0.65 167 166.95739528313 0.0426047168700734 2 0.0909090909090909 1.81818181818182 1 12.9347242507923 12 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +1193998.236037 169.014445 "C7H6O5" "O5" "CHO" 7 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.02172145216 169.01424685074 1.16543497094694 1.17 169 168.825721960808 0.174278039191904 5 0.714285714285714 0.857142857142857 0 13.0785787156077 12 0.9 16 0.4 0 0 0 0 0 0 "Unambiguous" +2905.54166 169.0294862 "C11H6O2" "O2" "CHO" 11 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.03676265216 169.02950298384 -0.0987071249772075 0.1 169 168.84074636567 0.159253634330184 9 0.181818181818182 0.545454545454545 7 13.0797522643077 13 1 24 0.2 0 0 0 0 0 0 "Unambiguous" +2400793.470916 169.0507675 "C8H10O4" "O4" "CHO" 8 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.05804395216 169.05063235604 0.794693134494621 0.79 169 168.86200390278 0.137996097219883 4 0.5 1.25 0 13.0813776006308 12 0.9 18 0.6 170.0542234 60444.479023 0 0 0 0 "Unambiguous" +300206.770332 169.0659852 "C12H10O" "O" "CHO" 12 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.07326165216 169.06588848914 0.568642354787644 0.57 169 168.87720461056 0.122795389439659 8 0.0833333333333333 0.833333333333333 7 13.0825511493308 13 1 26 0.4 0 0 0 0 0 0 "Unambiguous" +550817.69635 169.0871253 "C9H14O3" "O3" "CHO" 9 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.09440175216 169.08701786134 0.631641364375072 0.63 169 168.898321105336 0.10167889466419 3 0.333333333333333 1.55555555555556 0 13.0841764856538 12 0.9 20 0.7 170.0904673 16807.046439 0 0 0 0 "Unambiguous" +2464.836202 169.102502 "C13H14" "" "CH" 13 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.10977845216 169.10227399444 1.34034364199598 1.34 169 168.913680635575 0.0863193644247815 7 0 1.07692307692308 7 13.0853500343538 13 1 28 0.5 0 0 0 0 0 0 "Unambiguous" +110703.192384 169.123486 "C10H18O2" "O2" "CHO" 10 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 170.13076245216 169.12340336664 0.485704988515796 0.49 169 168.934641204653 0.0653587953466115 2 0.2 1.8 0 13.0869753706769 12 0.9 22 0.8 0 0 0 0 0 0 "Unambiguous" +36157.56287 170.9937495 "C6H4O6" "O6" "CHO" 6 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.00102595216 170.99351140924 1.38424034792239 1.38 171 170.802816351721 0.197183648278894 5 1 0.666666666666667 -1 13.2308298354923 12 0.9 14 0.3 0 0 0 0 0 0 "Unambiguous" +11585977.863068 171.0300984 "C7H8O5" "O5" "CHO" 7 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.03737485216 171.02989691454 1.17117260245274 1.17 171 170.839124664215 0.160875335785335 4 0.714285714285714 1.14285714285714 -1 13.2336287205154 12 0.9 16 0.5 172.0335099 196791.988196 0 0 0 0 "Unambiguous" +466541.064457 171.0453074 "C11H8O2" "O2" "CHO" 11 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.05258385216 171.04515304764 0.897123173295651 0.9 171 170.854316681709 0.145683318290622 8 0.181818181818182 0.727272727272727 6 13.2348022692154 13 1 24 0.3 172.0488966 9615.049499 0 0 0 0 "Unambiguous" +7130442.151598 171.0664599 "C8H12O4" "O4" "CHO" 8 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.07373635216 171.06628241984 1.03141922624227 1.03 171 170.875445562639 0.124554437361098 3 0.5 1.5 -1 13.2364276055385 12 0.9 18 0.7 172.0697973 169391.003392 0 0 0 0 "Unambiguous" +232113.803784 171.0816547 "C12H12O" "O" "CHO" 12 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.08893115216 171.08153855294 0.674924640536511 0.67 171 170.890623395989 0.109376604010521 7 0.0833333333333333 1 6 13.2376011542385 13 1 26 0.5 172.0851519 5719.846501 0 0 0 0 "Unambiguous" +584630.653349 171.102845 "C9H16O3" "O3" "CHO" 9 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.11012145216 171.10266792514 1.0288462904513 1.03 171 170.911790034711 0.0882099652887973 2 0.333333333333333 1.77777777777778 -1 13.2392264905615 12 0.9 20 0.8 172.1061137 7386.103582 0 0 0 0 "Unambiguous" +25729.156394 171.1392806 "C10H20O2" "O2" "CHO" 10 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 172.14655705216 171.13905343044 1.31962883186068 1.32 171 170.948184950395 0.0518150496052669 1 0.2 2 -1 13.2420253755846 12 0.9 22 0.9 0 0 0 0 0 0 "Unambiguous" +3568774.269522 173.0093879 "C6H6O6" "O6" "CHO" 6 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.01666435216 173.00916147304 1.3011797511164 1.3 173 172.816204071877 0.183795928123203 4 1 1 -2 13.3858798404 12 0.9 14 0.4 174.012613 54639.26378 0 0 0 0 "Unambiguous" +233596.092734 173.0246219 "C10H6O3" "O3" "CHO" 10 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.03189835216 173.02441760614 1.17388744214594 1.17 173 172.831421061456 0.168578938543703 8 0.3 0.6 5 13.3870533891 13 1 22 0.3 0 0 0 0 0 0 "Unambiguous" +22451590.792923 173.0457708 "C7H10O5" "O5" "CHO" 7 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.05304725216 173.04554697834 1.28593933609635 1.29 173 172.852546346406 0.147453653594368 3 0.714285714285714 1.42857142857143 -2 13.3886787254231 12 0.9 16 0.6 174.0491196 398325.019865 0 0 0 0 "Unambiguous" +1021439.856434 173.0609797 "C11H10O2" "O2" "CHO" 11 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.06825615216 173.06080311144 1.01447882505679 1.01 173 172.867738264012 0.13226173598801 7 0.181818181818182 0.909090909090909 5 13.3898522741231 13 1 24 0.4 174.0643665 36130.783314 0 0 0 0 "Unambiguous" +3606230.799393 173.0821125 "C8H14O4" "O4" "CHO" 8 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.08938895216 173.08193248364 1.03404556173412 1.03 173 172.888847466939 0.111152533061272 2 0.5 1.75 -2 13.3914776104462 12 0.9 18 0.8 174.0855215 104471.198926 0 0 0 0 "Unambiguous" +133684.344152 173.0973172 "C12H14O" "O" "CHO" 12 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.10459365216 173.09718861674 0.738540306697559 0.74 173 172.904035189235 0.095964810765139 6 0.0833333333333333 1.16666666666667 5 13.3926511591462 13 1 26 0.5 0 0 0 0 0 0 "Unambiguous" +366005.211916 173.1185437 "C9H18O3" "O3" "CHO" 9 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 174.12582015216 173.11831798894 1.2962526741525 1.3 173 172.925237987535 0.074762012464646 1 0.333333333333333 2 -2 13.3942764954692 12 0.9 20 0.9 0 0 0 0 0 0 "Unambiguous" +27497740.144717 175.0250456 "C6H8O6" "O6" "CHO" 6 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 176.03232205216 175.02481153684 1.32966012877102 1.33 175 174.829611070482 0.170388929518083 3 1 1.33333333333333 -3 13.5409298453077 12 0.9 14 0.6 176.0283817 399881.047939 0 0 0 0 "Unambiguous" +3509754.93077 175.0402215 "C10H8O3" "O3" "CHO" 10 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 176.04749795216 175.04006766994 0.873798615575617 0.87 175 174.844770024936 0.155229975063605 7 0.3 0.8 4 13.5421033940077 13 1 22 0.4 176.0435409 176295.65983 0 0 0 0 "Unambiguous" +4274036.253322 175.0613661 "C7H12O5" "O5" "CHO" 7 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 176.06864255216 175.06119704214 0.960181537877766 0.96 175 174.865891014687 0.134108985312878 2 0.714285714285714 1.71428571428571 -3 13.5437287303308 12 0.9 16 0.8 176.0647751 81956.439393 0 0 0 0 "Unambiguous" +1277418.621037 175.076624 "C11H12O2" "O2" "CHO" 11 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 176.08390045216 175.07645317524 0.970132758113073 0.97 175 174.88113187758 0.118868122420281 6 0.181818181818182 1.09090909090909 4 13.5449022790308 13 1 24 0.5 176.0800073 60069.801507 0 0 0 0 "Unambiguous" +125449.78623 175.0977135 "C8H16O4" "O4" "CHO" 8 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 176.10498995216 175.09758254744 0.743605050798735 0.74 175 174.902197828856 0.0978021711444228 1 0.5 2 -3 13.5465276153538 12 0.9 18 0.9 0 0 0 0 0 0 "Unambiguous" +101388.462183 175.1129753 "C12H16O" "O" "CHO" 12 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 176.12025175216 175.11283868054 0.775716924287245 0.78 175 174.917442587393 0.0825574126066329 5 0.0833333333333333 1.33333333333333 4 13.5477011640538 13 1 26 0.6 0 0 0 0 0 0 "Unambiguous" +6490112.268455 177.0195667 "C9H6O4" "O4" "CHO" 9 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 178.02684315216 177.01933222844 1.31705733735787 1.32 177 176.821905070403 0.17809492959654 7 0.444444444444444 0.666666666666667 3 13.6943545138923 13 0.9 20 0.3 178.0229499 163059.314802 0 0 0 0 "Unambiguous" +3220845.458793 177.04065 "C6H10O6" "O6" "CHO" 6 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 178.04792645216 177.04046160064 1.05813846720274 1.06 177 176.842964828602 0.157035171397695 2 1 1.66666666666667 -4 13.6959798502154 12 0.9 14 0.7 178.0440829 40193.723695 0 0 0 0 "Unambiguous" +7030878.330995 177.0559086 "C10H10O3" "O3" "CHO" 10 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 178.06318505216 177.05571773374 1.07190186417729 1.07 177 176.858206390713 0.141793609286765 6 0.3 1 3 13.6971533989154 13 0.9 22 0.5 178.0592791 206222.169639 0 0 0 0 "Unambiguous" +680936.65232 177.0922869 "C11H14O2" "O2" "CHO" 11 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 178.09956335216 177.09210323904 1.03122633513489 1.03 177 176.894544070378 0.105455929621542 5 0.181818181818182 1.27272727272727 3 13.6999522839385 13 0.9 24 0.6 178.095709 21549.075578 0 0 0 0 "Unambiguous" +72329.448911 177.1286788 "C12H18O" "O" "CHO" 12 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 178.13595525216 177.12848874434 1.06691352529115 1.07 177 176.930895334858 0.0691046651421914 4 0.0833333333333333 1.5 3 13.7027511689615 13 0.9 26 0.7 0 0 0 0 0 0 "Unambiguous" +790353.003234 178.99885 "C8H4O5" "O5" "CHO" 8 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 180.00612645216 178.99859678694 1.40669134432608 1.41 179 178.798978284989 0.20102171501145 7 0.625 0.5 2 13.8466056337769 13 0.9 18 0.2 180.002385 7110.102704 0 0 0 0 "Unambiguous" +40446670.45267 179.0352238 "C9H8O4" "O4" "CHO" 9 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 180.04250025216 179.03498229224 1.34139305822264 1.34 179 178.835311469679 0.164688530321456 6 0.444444444444444 0.888888888888889 2 13.8494045188 13 0.9 20 0.4 180.038465 1041452.958742 0 0 0 0 "Unambiguous" +7225.084429 179.0564647 "C6H12O6" "O6" "CHO" 6 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 180.06374115216 179.05611166444 1.96061437883939 1.96 179 178.8565286519 0.143471348100178 1 1 2 -5 13.8510298551231 12 0.9 14 0.9 0 0 0 0 0 0 "Unambiguous" +2715287.017798 179.0715209 "C10H12O3" "O3" "CHO" 10 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 180.07879735216 179.07136779754 0.85019703730301 0.85 179 178.871568040012 0.128431959987608 5 0.3 1.2 2 13.8522034038231 13 0.9 22 0.5 180.0749793 94264.848868 0 0 0 0 "Unambiguous" +211131.845216 179.1079681 "C11H16O2" "O2" "CHO" 11 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 180.11524455216 179.10775330284 1.19255402579745 1.19 179 178.907974542743 0.0920254572567387 4 0.181818181818182 1.45454545454545 2 13.8550022888462 13 0.9 24 0.7 180.1112774 2179.678953 0 0 0 0 "Unambiguous" +28707.74369 179.1442621 "C12H20O" "O" "CHO" 12 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 180.15153855216 179.14413880814 0.684378612412369 0.68 179 178.944228016539 0.0557719834613692 3 0.0833333333333333 1.66666666666667 2 13.8578011738692 13 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +50142257.792232 181.014483 "C8H6O5" "O5" "CHO" 8 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 182.02175945216 181.01424685074 1.29736829667751 1.3 181 180.812360611174 0.187639388826057 6 0.625 0.75 1 14.0016556386846 13 0.9 18 0.3 182.0176539 1109475.842999 0 0 0 0 "Unambiguous" +5346363.659216 181.0507633 "C9H10O4" "O4" "CHO" 9 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 182.05803975216 181.05063235604 0.719242941241014 0.72 181 180.848600400267 0.151399599733168 5 0.444444444444444 1.11111111111111 1 14.0044545237077 13 0.9 20 0.5 0 0 0 0 0 0 "Unambiguous" +65503.304321 181.0659551 "C13H10O" "O" "CHO" 13 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 182.07323155216 181.06588848914 0.365846530106933 0.37 181 180.863775236967 0.136224763032772 9 0.0769230769230769 0.769230769230769 8 14.0056280724077 14 1 28 0.4 0 0 0 0 0 0 "Unambiguous" +602856.791047 181.087142 "C10H14O3" "O3" "CHO" 10 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 182.09441845216 181.08701786134 0.681726881327892 0.68 181 180.884938479485 0.115061520514587 4 0.3 1.4 1 14.0072534087308 13 0.9 22 0.6 182.0905872 9322.098009 0 0 0 0 "Unambiguous" +107912.471941 181.1235424 "C11H18O2" "O2" "CHO" 11 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 182.13081885216 181.12340336664 0.763370860989988 0.76 181 180.921298234474 0.0787017655264037 3 0.181818181818182 1.63636363636364 1 14.0100522937538 13 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +201352.991163 182.993709 "C7H4O6" "O6" "CHO" 7 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.00098545216 182.99351140924 1.07385707478705 1.07 183 182.789376589741 0.210623410259245 6 0.857142857142857 0.571428571428571 0 14.1539067585692 13 0.9 16 0.2 183.9972647 3927.084736 0 0 0 0 "Unambiguous" +3315321.863767 183.0300226 "C8H8O5" "O5" "CHO" 8 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.03729905216 183.02989691454 0.68293471297998 0.68 183 182.825649641651 0.174350358349443 5 0.625 1 0 14.1567056435923 13 0.9 18 0.4 184.0333274 76096.739229 0 0 0 0 "Unambiguous" +218705.526545 183.0452727 "C12H8O2" "O2" "CHO" 12 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.05254915216 183.04515304764 0.650098901295509 0.65 183 182.840882713253 0.159117286747318 9 0.166666666666667 0.666666666666667 7 14.1578791922923 14 1 26 0.3 184.0486061 2895.24198 0 0 0 0 "Unambiguous" +2755615.041138 183.0663571 "C9H12O4" "O4" "CHO" 9 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.07363355216 183.06628241984 0.405708077556803 0.41 183 182.861943570223 0.138056429776725 4 0.444444444444444 1.33333333333333 0 14.1595045286154 13 0.9 20 0.6 184.0697404 119250.760105 0 0 0 0 "Unambiguous" +286844.225763 183.0816157 "C13H12O" "O" "CHO" 13 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.08889215216 183.08153855294 0.419075040764525 0.42 183 182.877185132334 0.122814867665824 8 0.0769230769230769 0.923076923076923 7 14.1606780773154 14 1 28 0.4 184.0850098 3383.970852 0 0 0 0 "Unambiguous" +437088.132894 183.102785 "C10H16O3" "O3" "CHO" 10 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.11006145216 183.10266792514 0.635896045501976 0.64 183 182.898330794505 0.101669205495284 3 0.3 1.6 0 14.1623034136385 13 0.9 22 0.7 184.1063848 4822.807802 0 0 0 0 "Unambiguous" +70368.686454 183.139221 "C11H20O2" "O2" "CHO" 11 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 184.14649745216 183.13905343044 0.90997962109349 0.91 183 182.934726109742 0.0652738902583962 2 0.181818181818182 1.81818181818182 0 14.1651022986615 13 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +1033510.93685 185.0093553 "C7H6O6" "O6" "CHO" 7 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.01663175216 185.00916147304 1.04198725774597 1.04 185 184.802772201075 0.197227798924786 5 0.857142857142857 0.857142857142857 -1 14.3089567634769 13 0.9 16 0.4 186.0125709 5610.760197 0 0 0 0 "Unambiguous" +147313.945519 185.0245726 "C11H6O3" "O3" "CHO" 11 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.03184905216 185.02441760614 0.83315765981758 0.83 185 184.817972509302 0.182027490697919 9 0.272727272727273 0.545454545454545 6 14.3101303121769 14 1 24 0.2 0 0 0 0 0 0 "Unambiguous" +13898715.995462 185.0457245 "C8H10O5" "O5" "CHO" 8 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.05300095216 185.04554697834 0.954145641899514 0.95 185 184.839100790902 0.160899209098403 4 0.625 1.25 -1 14.3117556485 13 0.9 18 0.6 186.0490046 242605.294323 0 0 0 0 "Unambiguous" +789361.115564 185.0609102 "C12H10O2" "O2" "CHO" 12 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.06818665216 185.06080311144 0.575533958344325 0.58 185 184.854269534413 0.145730465586695 8 0.166666666666667 0.833333333333333 6 14.3129291972 14 1 26 0.4 186.0642833 21154.013691 0 0 0 0 "Unambiguous" +9246146.068441 185.0820629 "C9H14O4" "O4" "CHO" 9 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.08933935216 185.08193248364 0.700826605447875 0.7 185 184.87539861512 0.124601384880464 3 0.444444444444444 1.55555555555556 -1 14.3145545335231 13 0.9 20 0.7 186.0854629 193445.109186 0 0 0 0 "Unambiguous" +149095.710691 185.0972857 "C13H14O" "O" "CHO" 13 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.10456215216 185.09718861674 0.521659753339142 0.52 185 184.890604417205 0.109395582794974 7 0.0769230769230769 1.07692307692308 6 14.3157280822231 14 1 28 0.5 0 0 0 0 0 0 "Unambiguous" +307915.990796 185.1183842 "C10H18O3" "O3" "CHO" 10 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.12566065216 185.11831798894 0.355733109470427 0.36 185 184.911679358431 0.0883206415685436 2 0.3 1.8 -1 14.3173534185462 13 0.9 22 0.8 0 0 0 0 0 0 "Unambiguous" +13538.554879 185.154821 "C11H22O2" "O2" "CHO" 11 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 186.16209745216 185.15470349424 0.631201311095194 0.63 185 184.948075472775 0.0519245272249407 1 0.181818181818182 2 -1 14.3201523035692 13 0.9 24 0.9 0 0 0 0 0 0 "Unambiguous" +9986851.44597 187.0250167 "C7H8O6" "O6" "CHO" 7 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.03229315216 187.02481153684 1.09110598280132 1.09 187 186.816182895549 0.183817104451094 4 0.857142857142857 1.14285714285714 -2 14.4640067683846 13 0.9 16 0.5 188.0283202 156600.716893 0 0 0 0 "Unambiguous" +959306.345 187.0402459 "C11H8O3" "O3" "CHO" 11 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.04752235216 187.04006766994 0.947792652398247 0.95 187 186.831395090488 0.168604909511885 8 0.272727272727273 0.727272727272727 5 14.4651803170846 14 1 24 0.3 188.0435778 54533.570095 0 0 0 0 "Unambiguous" +31446974.616907 187.0613762 "C8H12O5" "O5" "CHO" 8 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.06865265216 187.06119704214 0.95261946888513 0.95 187 186.852501796206 0.147498203793617 3 0.625 1.5 -2 14.4668056534077 13 0.9 18 0.7 188.0646171 654724.833193 0 0 0 0 "Unambiguous" +676666.230779 187.0765234 "C12H12O2" "O2" "CHO" 12 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.08379985216 187.07645317524 0.373369530305322 0.37 187 186.867632082708 0.132367917292441 7 0.166666666666667 1 5 14.4679792021077 14 1 26 0.5 188.0799217 43780.645247 0 0 0 0 "Unambiguous" +4902601.969047 187.0976587 "C9H16O4" "O4" "CHO" 9 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.10493515216 187.09758254744 0.404840840305371 0.4 187 186.888743782843 0.111256217157234 2 0.444444444444444 1.77777777777778 -2 14.4696045384308 13 0.9 20 0.8 188.1010389 152358.183587 0 0 0 0 "Unambiguous" +97377.484624 187.1128287 "C13H16O" "O" "CHO" 13 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.12010515216 187.11283868054 -0.0530540847386564 0.05 187 186.903896843885 0.0961031561147934 6 0.0769230769230769 1.23076923076923 5 14.4707780871308 14 1 28 0.6 0 0 0 0 0 0 "Unambiguous" +206372.901101 187.1340866 "C10H20O3" "O3" "CHO" 10 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 188.14136305216 187.13396805274 0.630096742416449 0.63 187 186.925131007124 0.0748689928758495 1 0.3 2 -2 14.4724034234538 13 0.9 22 0.9 0 0 0 0 0 0 "Unambiguous" +303111.375964 189.0042224 "C6H6O7" "O7" "CHO" 6 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.01149885216 189.00407609534 0.769977927074661 0.77 189 188.793178596783 0.206821403217134 4 1.16666666666667 1 -3 14.6162578882692 13 0.9 14 0.4 0 0 0 0 0 0 "Unambiguous" +555197.085952 189.0194922 "C10H6O4" "O4" "CHO" 10 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.02676865216 189.01933222844 0.841836974569503 0.84 189 188.808431346388 0.191568653612222 8 0.4 0.6 4 14.6174314369692 14 1 22 0.3 190.0227767 12453.126887 0 0 0 0 "Unambiguous" +14918245.889414 189.0406328 "C7H10O6" "O6" "CHO" 7 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.04790925216 189.04046160064 0.90082211720369 0.9 189 188.829548340605 0.170451659395042 3 0.857142857142857 1.42857142857143 -3 14.6190567732923 13 0.9 16 0.6 190.0439327 228707.917118 0 0 0 0 "Unambiguous" +2713631.609797 189.0558051 "C11H10O3" "O3" "CHO" 11 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.06308155216 189.05571773374 0.459669806794516 0.46 189 188.844703699079 0.155296300920782 7 0.272727272727273 0.909090909090909 4 14.6202303219923 14 1 24 0.4 190.0591614 118413.801549 0 0 0 0 "Unambiguous" +12605768.718261 189.0769803 "C8H14O5" "O5" "CHO" 8 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.08425675216 189.07684710594 0.700710633812865 0.7 189 188.865855254662 0.134144745338261 2 0.625 1.75 -3 14.6218556583154 13 0.9 18 0.8 190.0803164 230142.316857 0 0 0 0 "Unambiguous" +632286.989281 189.0921248 "C12H14O2" "O2" "CHO" 12 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.09940125216 189.09210323904 0.113419399805443 0.11 189 188.880982844178 0.119017155822263 6 0.166666666666667 1.16666666666667 4 14.6230292070154 14 1 26 0.5 190.0955391 23825.911322 0 0 0 0 "Unambiguous" +135577.438439 189.1132769 "C9H18O4" "O4" "CHO" 9 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.12055335216 189.11323261124 0.232950931467568 0.23 189 188.902111325554 0.0978886744460965 1 0.444444444444444 2 -3 14.6246545433385 13 0.9 20 0.9 0 0 0 0 0 0 "Unambiguous" +65971.429564 189.1286365 "C13H18O" "O" "CHO" 13 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 190.13591295216 189.12848874434 0.777105480575513 0.78 189 188.917453774887 0.082546225112651 5 0.0769230769230769 1.38461538461538 4 14.6258280920385 14 1 28 0.6 0 0 0 0 0 0 "Unambiguous" +201181.975241 190.9987272 "C9H4O5" "O5" "CHO" 9 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.00600365216 190.99859678694 0.679213449118025 0.68 191 190.785456314905 0.214543685094895 8 0.555555555555556 0.444444444444444 3 14.7696825568538 14 0.9 20 0.2 0 0 0 0 0 0 "Unambiguous" +8141835.584082 191.019909 "C6H8O7" "O7" "CHO" 6 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.02718545216 191.01972615914 0.95216132856333 0.95 191 190.806614463118 0.193385536881976 3 1.16666666666667 1.33333333333333 -4 14.7713078931769 13 0.9 14 0.6 192.0232705 105382.596004 0 0 0 0 "Unambiguous" +9440284.355251 191.0351283 "C10H8O4" "O4" "CHO" 10 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.04240475216 191.03498229224 0.760289167221289 0.76 191 190.821816769112 0.178183230888351 7 0.4 0.8 3 14.7724814418769 14 0.9 22 0.4 192.0384392 258823.445817 0 0 0 0 "Unambiguous" +651790.519332 191.0562013 "C7H12O6" "O6" "CHO" 7 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.06347775216 191.05611166444 0.466697578661172 0.47 191 190.842866238812 0.157133761188391 2 0.857142857142857 1.71428571428571 -4 14.7741067782 13 0.9 16 0.8 192.0595005 16043.134802 0 0 0 0 "Unambiguous" +2317668.62271 191.0714369 "C11H12O3" "O3" "CHO" 11 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.07871335216 191.07136779754 0.359761156231455 0.36 191 190.858084826605 0.141915173395461 6 0.272727272727273 1.09090909090909 3 14.7752803269 14 0.9 24 0.5 192.0747197 119742.725333 0 0 0 0 "Unambiguous" +2778.346741 191.0927652 "C8H16O5" "O5" "CHO" 8 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.10004165216 191.09249716974 1.39526393486155 1.4 191 190.879389311234 0.120610688765765 1 0.625 2 -4 14.7769056632231 13 0.9 18 0.9 0 0 0 0 0 0 "Unambiguous" +324473.73587 191.1077981 "C12H16O2" "O2" "CHO" 12 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.11507455216 191.10775330284 0.233178786753096 0.23 191 190.894405425364 0.105594574636228 5 0.166666666666667 1.33333333333333 3 14.7780792119231 14 0.9 26 0.6 0 0 0 0 0 0 "Unambiguous" +66513.241927 191.1441483 "C13H20O" "O" "CHO" 13 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 192.15142475216 191.14413880814 0.0493978122237537 0.05 191 190.930715036406 0.0692849635942707 4 0.0769230769230769 1.53846153846154 3 14.7808780969462 14 0.9 28 0.7 0 0 0 0 0 0 "Unambiguous" +13169700.896474 193.014466 "C9H6O5" "O5" "CHO" 9 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 194.02174245216 193.01424685074 1.12950877172338 1.13 193 192.798944322953 0.201055677046753 7 0.555555555555556 0.666666666666667 2 14.9247325617615 14 0.9 20 0.3 194.0176996 282340.660723 0 0 0 0 "Unambiguous" +6600987.971326 193.0355208 "C6H10O7" "O7" "CHO" 6 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 194.04279725216 193.03537622294 0.745078209859695 0.75 193 192.819975612975 0.180024387024503 2 1.16666666666667 1.66666666666667 -5 14.9263578980846 13 0.9 14 0.7 194.0389264 88118.342202 0 0 0 0 "Unambiguous" +12829155.099072 193.0507819 "C10H10O4" "O4" "CHO" 10 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 194.05805835216 193.05063235604 0.770614532897861 0.77 193 192.835219672295 0.164780327705103 6 0.4 1 2 14.9275314467846 14 0.9 22 0.5 194.0540079 337137.143148 0 0 0 0 "Unambiguous" +74784.737133 193.0658806 "C14H10O" "O" "CHO" 14 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 194.07315705216 193.06588848914 -0.0406503409000641 0.04 193 192.850301512952 0.149698487048397 10 0.0714285714285714 0.714285714285714 9 14.9287049954846 15 1 30 0.3 0 0 0 0 0 0 "Unambiguous" +662153.911876 193.0871024 "C11H14O3" "O3" "CHO" 11 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 194.09437885216 193.08701786134 0.435554396219673 0.44 193 192.8714996165 0.128500383499897 5 0.272727272727273 1.27272727272727 2 14.9303303318077 14 0.9 24 0.6 194.0905186 29689.624339 0 0 0 0 "Unambiguous" +203529.809977 193.1233694 "C12H18O2" "O2" "CHO" 12 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 194.13064585216 193.12340336664 -0.174967944089698 0.17 193 192.907726120444 0.0922738795560747 4 0.166666666666667 1.5 2 14.9331292168308 14 0.9 26 0.7 0 0 0 0 0 0 "Unambiguous" +99296.061526 194.9936843 "C8H4O6" "O6" "CHO" 8 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.00096075216 194.99351140924 0.882091390516682 0.88 195 194.775952610118 0.224047389882031 7 0.75 0.5 1 15.0769836816462 14 0.9 18 0.2 0 0 0 0 0 0 "Unambiguous" +30226671.486497 195.0300926 "C9H8O5" "O5" "CHO" 9 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.03736905216 195.02989691454 0.998204887903431 1 195 194.812320256285 0.18767974371508 6 0.555555555555556 0.888888888888889 1 15.0797825666692 14 0.9 20 0.4 196.0332719 652970.900339 0 0 0 0 "Unambiguous" +305710.943741 195.0451779 "C13H8O2" "O2" "CHO" 13 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.05245435216 195.04515304764 0.126763829951449 0.13 195 194.827388711904 0.172611288095823 10 0.153846153846154 0.615384615384615 8 15.0809561153692 15 1 28 0.3 0 0 0 0 0 0 "Unambiguous" +1997705.517495 195.0663282 "C10H12O4" "O4" "CHO" 10 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.07360465216 195.06628241984 0.233484563414712 0.23 195 194.84851539529 0.151484604709765 5 0.4 1.2 1 15.0825814516923 14 0.9 22 0.5 196.0696602 76270.934654 0 0 0 0 "Unambiguous" +61581.2201 195.0815797 "C14H12O" "O" "CHO" 14 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.08885615216 195.08153855294 0.209838849570624 0.21 195 194.863749865329 0.136250134670917 9 0.0714285714285714 0.857142857142857 8 15.0837550003923 15 1 30 0.4 0 0 0 0 0 0 "Unambiguous" +294378.511384 195.1027629 "C11H16O3" "O3" "CHO" 11 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.11003935216 195.10266792514 0.484293717468599 0.48 195 194.884909411979 0.115090588021275 4 0.272727272727273 1.45454545454545 1 15.0853803367154 14 0.9 24 0.7 0 0 0 0 0 0 "Unambiguous" +85264.083592 195.1391719 "C12H20O2" "O2" "CHO" 12 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 196.14644835216 195.13905343044 0.603985241580686 0.6 195 194.921277757364 0.0787222426359051 3 0.166666666666667 1.66666666666667 1 15.0881792217385 14 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +10425504.26058 197.0093443 "C8H6O6" "O6" "CHO" 8 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.01662075216 197.00916147304 0.923290980926065 0.92 197 196.789361906155 0.210638093845091 6 0.75 0.75 0 15.2320336865538 14 0.9 18 0.3 198.0125396 226281.91082 0 0 0 0 "Unambiguous" +3221.425652 197.0244278 "C12H6O3" "O3" "CHO" 12 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.03170425216 197.02441760614 0.0514758990712436 0.05 197 196.804428563784 0.195571436215943 10 0.25 0.5 7 15.2332072352538 15 1 26 0.2 0 0 0 0 0 0 "Unambiguous" +2298414.774553 197.0455998 "C9H10O5" "O5" "CHO" 9 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.05287625216 197.04554697834 0.266704836635256 0.27 197 196.82557692294 0.174423077060311 5 0.555555555555556 1.11111111111111 0 15.2348325715769 14 0.9 20 0.5 198.0490607 53158.116204 0 0 0 0 "Unambiguous" +418062.663243 197.0608093 "C13H10O2" "O2" "CHO" 13 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.06808575216 197.06080311144 0.0312446094262776 0.03 197 196.840769439876 0.159230560123888 9 0.153846153846154 0.769230769230769 7 15.2360061202769 15 1 28 0.4 198.0640901 16200.289465 199.0679411 6049.972527 0 0 "Unambiguous" +1087349.149848 197.0819806 "C10H14O4" "O4" "CHO" 10 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.08925705216 197.08193248364 0.242902420462959 0.24 197 196.861917099813 0.138082900186589 4 0.4 1.4 0 15.2376314566 14 0.9 22 0.6 198.0850157 28475.666125 0 0 0 0 "Unambiguous" +105059.735811 197.0972694 "C14H14O" "O" "CHO" 14 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.10454585216 197.09718861674 0.407780950414103 0.41 197 196.877188828203 0.122811171797252 8 0.0714285714285714 1 7 15.2388050053 15 1 30 0.5 0 0 0 0 0 0 "Unambiguous" +209195.221892 197.1183879 "C11H18O3" "O3" "CHO" 11 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.12566435216 197.11831798894 0.35286221108163 0.35 197 196.898283747097 0.101716252903032 3 0.272727272727273 1.63636363636364 0 15.2404303416231 14 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +33322.717431 197.1547834 "C12H22O2" "O2" "CHO" 12 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 198.16205985216 197.15470349424 0.403234403512958 0.4 197 196.934638607557 0.0653613924434353 2 0.166666666666667 1.83333333333333 0 15.2432292266462 14 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +519160.110627 198.9885434 "C7H4O7" "O7" "CHO" 7 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 199.99581985216 198.98842603154 0.586854565675297 0.59 199 198.766351014758 0.233648985241501 6 1 0.571428571428571 -1 15.3842848064385 14 0.9 16 0.2 199.9919351 4150.061764 0 0 0 0 "Unambiguous" +2103165.496502 199.0249215 "C8H8O6" "O6" "CHO" 8 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.03219795216 199.02481153684 0.54972729960405 0.55 199 198.802688494647 0.197311505352957 5 0.75 1 -1 15.3870836914615 14 0.9 18 0.4 200.0283242 78948.133092 0 0 0 0 "Unambiguous" +209675.455575 199.040135 "C12H8O3" "O3" "CHO" 12 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.04741145216 199.04006766994 0.336570513401859 0.34 199 198.817885007117 0.182114992882987 9 0.25 0.666666666666667 6 15.3882572401615 15 1 26 0.3 0 0 0 0 0 0 "Unambiguous" +6066703.17131 199.0612916 "C9H12O5" "O5" "CHO" 9 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.06856805216 199.06119704214 0.472627264322178 0.47 199 198.839017983468 0.160982016531534 4 0.555555555555556 1.33333333333333 -1 15.3898825764846 14 0.9 20 0.6 200.0645789 158932.812925 0 0 0 0 "Unambiguous" +362901.213759 199.0765117 "C13H12O2" "O2" "CHO" 13 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.08378815216 199.07645317524 0.29250125926444 0.29 199 198.854221088569 0.145778911431165 8 0.153846153846154 0.923076923076923 6 15.3910561251846 15 1 28 0.4 200.0796823 5123.854356 0 0 0 0 "Unambiguous" +1411273.753007 199.097643 "C10H16O4" "O4" "CHO" 10 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.10491945216 199.09758254744 0.302104316936618 0.3 199 198.87532879317 0.124671206829504 3 0.4 1.6 -1 15.3926814615077 14 0.9 22 0.7 200.1009406 50254.480391 0 0 0 0 "Unambiguous" +67725.508193 199.1127167 "C14H16O" "O" "CHO" 14 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.11999315216 199.11283868054 -0.609536998677013 0.61 199 198.890385661742 0.109614338257614 7 0.0714285714285714 1.14285714285714 6 15.3938550102077 15 1 30 0.5 0 0 0 0 0 0 "Unambiguous" +161159.612387 199.1339404 "C11H20O3" "O3" "CHO" 11 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.14121685216 199.13396805274 -0.13816614314114 0.14 199 198.911585663169 0.0884143368306241 2 0.272727272727273 1.81818181818182 -1 15.3954803465308 14 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +15998.856458 199.1706896 "C12H24O2" "O2" "CHO" 12 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 200.17796605216 199.17035355804 1.67871602766503 1.68 199 198.948293828684 0.0517061713156295 1 0.166666666666667 2 -1 15.3982792315538 14 0.9 26 0.9 0 0 0 0 0 0 "Unambiguous" +217685.878792 201.0041541 "C7H6O7" "O7" "CHO" 7 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.01143055216 201.00407609534 0.386139832700884 0.39 201 200.779711065844 0.220288934155775 5 1 0.857142857142857 -2 15.5393348113462 14 0.9 16 0.4 0 0 0 0 0 0 "Unambiguous" +62416.399105 201.0194671 "C11H6O4" "O4" "CHO" 11 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.02674355216 201.01933222844 0.667592605068863 0.67 201 200.795006967212 0.204993032788337 9 0.363636363636364 0.545454545454545 5 15.5405083600462 15 1 24 0.2 0 0 0 0 0 0 "Unambiguous" +8092617.44961 201.0406074 "C8H10O6" "O6" "CHO" 8 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.04788385216 201.04046160064 0.721607953543078 0.72 201 200.816123661764 0.183876338236189 4 0.75 1.25 -2 15.5421336963692 14 0.9 18 0.6 202.0438 210429.493646 0 0 0 0 "Unambiguous" +657790.289361 201.0557938 "C12H10O3" "O3" "CHO" 12 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.06307025216 201.05571773374 0.37644810552511 0.38 201 200.831293104494 0.168706895506091 8 0.25 0.833333333333333 5 15.5433072450692 15 1 26 0.4 202.0589367 23870.743603 0 0 0 0 "Unambiguous" +12918710.529374 201.0769708 "C9H14O5" "O5" "CHO" 9 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.08424725216 201.07684710594 0.612091549460913 0.61 201 200.852446458067 0.14755354193349 3 0.555555555555556 1.55555555555556 -2 15.5449325813923 14 0.9 20 0.7 202.0802737 263039.82559 203.0833735 2383.046477 0 0 "Unambiguous" +289115.342326 201.0920912 "C13H14O2" "O2" "CHO" 13 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.09936765216 201.09210323904 -0.0595699043555426 0.06 201 200.867549974493 0.132450025507211 7 0.153846153846154 1.07692307692308 5 15.5461061300923 15 1 28 0.5 202.0956975 2397.00729 0 0 0 0 "Unambiguous" +657183.399211 201.1132256 "C10H18O4" "O4" "CHO" 10 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.12050205216 201.11323261124 -0.0346884157214834 0.03 201 200.888660775633 0.111339224367072 2 0.4 1.8 -2 15.5477314664154 14 0.9 22 0.8 202.1165647 15444.061068 0 0 0 0 "Unambiguous" +24522.039883 201.1285806 "C14H18O" "O" "CHO" 14 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.13585705216 201.12848874434 0.454425361943529 0.45 201 200.903998630103 0.0960013698972375 6 0.0714285714285714 1.28571428571429 5 15.5489050151154 15 1 30 0.6 0 0 0 0 0 0 "Unambiguous" +121123.476433 201.1496361 "C11H22O3" "O3" "CHO" 11 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 202.15691255216 201.14961811654 0.0889579276343307 0.09 201 200.925030619343 0.0749693806566256 1 0.272727272727273 2 -2 15.5505303514385 14 0.9 24 0.9 0 0 0 0 0 0 "Unambiguous" +6701.899367 202.9983362 "C10H4O5" "O5" "CHO" 10 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.00561265216 202.99859678694 -1.27735181694006 1.28 203 202.771666444296 0.228333555703813 9 0.5 0.4 4 15.6927594799308 15 1 22 0.2 0 0 0 0 0 0 "Unambiguous" +7660.566687 202.9990111 "C10H4O5" "O5" "CHO" 10 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.00628755216 202.99859678694 2.03088377795939 2.03 203 202.772340590697 0.227659409303186 9 0.5 0.4 4 15.6927594799308 15 1 22 0.2 0 0 0 0 0 0 "Unambiguous" +1135785.279272 203.0198569 "C7H8O7" "O7" "CHO" 7 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.02713335216 203.01972615914 0.640801337878216 0.64 203 202.79316311409 0.206836885909695 4 1 1.14285714285714 -3 15.6943848162538 14 0.9 16 0.5 204.0232146 11493.271921 0 0 0 0 "Unambiguous" +840606.616552 203.0350875 "C11H8O4" "O4" "CHO" 11 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.04236395216 203.03498229224 0.515617237267634 0.52 203 202.808376707466 0.191623292533706 8 0.363636363636364 0.727272727272727 4 15.6955583649538 15 1 24 0.3 204.0384563 29151.447634 0 0 0 0 "Unambiguous" +12459498.159423 203.0562409 "C8H12O6" "O6" "CHO" 8 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.06351735216 203.05611166444 0.633310459905346 0.63 203 202.829506487391 0.170493512609113 3 0.75 1.5 -3 15.6971837012769 14 0.9 18 0.7 204.0595277 226328.120463 0 0 0 0 "Unambiguous" +842345.321481 203.0713701 "C12H12O3" "O3" "CHO" 12 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.07864655216 203.07136779754 0.0112822190301502 0.01 203 202.844618793991 0.155381206009025 7 0.25 1 4 15.6983572499769 15 1 26 0.5 204.0746805 44617.0129 0 0 0 0 "Unambiguous" +1190090.666669 203.0925546 "C9H16O5" "O5" "CHO" 9 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.09983105216 203.09249716974 0.281383182455303 0.28 203 202.865779639189 0.134220360810957 2 0.555555555555556 1.77777777777778 -3 15.6999825863 14 0.9 20 0.8 204.0959636 31502.973999 0 0 0 0 "Unambiguous" +159507.979971 203.1078328 "C13H16O2" "O2" "CHO" 13 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.11510925216 203.10775330284 0.38947219687472 0.39 203 202.881040779414 0.118959220585566 6 0.153846153846154 1.23076923076923 4 15.701156135 15 1 28 0.6 0 0 0 0 0 0 "Unambiguous" +67272.066272 203.1288701 "C10H20O4" "O4" "CHO" 10 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.13614655216 203.12888267504 -0.0616012412778097 0.06 203 202.902054588977 0.0979454110226925 1 0.4 2 -3 15.7027814713231 14 0.9 22 0.9 0 0 0 0 0 0 "Unambiguous" +10957.119534 203.1439427 "C14H20O" "O" "CHO" 14 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 204.15121915216 203.14413880814 -0.960602345806414 0.96 203 202.917110358778 0.0828896412224935 5 0.0714285714285714 1.42857142857143 4 15.7039550200231 15 1 30 0.7 0 0 0 0 0 0 "Unambiguous" +1023192.237976 205.0143775 "C10H6O5" "O5" "CHO" 10 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.02165395216 205.01424685074 0.634153048937151 0.63 205 204.78545661457 0.214543385429863 8 0.5 0.6 3 15.8478094848385 15 0.9 22 0.3 206.0176637 43693.41079 0 0 0 0 "Unambiguous" +1214737.733275 205.0355041 "C7H10O7" "O7" "CHO" 7 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.04278055216 205.03537622294 0.620633538660306 0.62 205 204.80655962442 0.193440375580167 3 1 1.42857142857143 -4 15.8494348211615 14 0.9 16 0.6 206.0387311 22639.374062 0 0 0 0 "Unambiguous" +3810251.523051 205.0507198 "C11H10O4" "O4" "CHO" 11 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.05799625216 205.05063235604 0.424365768737501 0.42 205 204.821758334433 0.17824166556673 7 0.363636363636364 0.909090909090909 3 15.8506083698615 15 0.9 24 0.4 206.0539766 165718.797482 0 0 0 0 "Unambiguous" +288147.086207 205.0718379 "C8H14O6" "O6" "CHO" 8 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.07911435216 205.07176172824 0.369623871032307 0.37 205 204.842852853774 0.157147146225839 2 0.75 1.75 -4 15.8522337061846 14 0.9 18 0.8 206.075322 2904.503353 0 0 0 0 "Unambiguous" +626762.388685 205.087063 "C12H14O3" "O3" "CHO" 12 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.09433945216 205.08701786134 0.219019406933245 0.22 205 204.858060953291 0.141939046708501 6 0.25 1.16666666666667 3 15.8534072548846 15 0.9 26 0.5 206.0906373 18363.052167 0 0 0 0 "Unambiguous" +85499.321251 205.1234331 "C13H18O2" "O2" "CHO" 13 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.13070955216 205.12340336664 0.144245173721934 0.14 205 204.894390442113 0.105609557887078 5 0.153846153846154 1.38461538461538 3 15.8562061399077 15 0.9 28 0.6 206.1269338 3857.873898 0 0 0 0 "Unambiguous" +9898.786851 205.159878 "C14H22O" "O" "CHO" 14 22 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 206.16715445216 205.15978887194 0.432309696565898 0.43 205 204.930794647412 0.0692053525880283 4 0.0714285714285714 1.57142857142857 3 15.8590050249308 15 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +125770.105224 206.9936001 "C9H4O6" "O6" "CHO" 9 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.00087655216 206.99351140924 0.426396087743492 0.43 207 206.762469196933 0.237530803066562 8 0.666666666666667 0.444444444444444 2 16.0000606047231 15 0.9 20 0.2 0 0 0 0 0 0 "Unambiguous" +16630027.011702 207.0300758 "C10H8O5" "O5" "CHO" 10 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.03735225216 207.02989691454 0.859871835693109 0.86 207 206.798904167841 0.201095832159069 7 0.5 0.8 2 16.0028594897462 15 0.9 22 0.4 208.0333246 423379.231124 0 0 0 0 "Unambiguous" +322980.188597 207.0510784 "C7H12O7" "O7" "CHO" 7 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.05835485216 207.05102628674 0.25047424805372 0.25 207 206.81988331615 0.18011668384986 2 1 1.71428571428571 -5 16.0044848260692 14 0.9 16 0.8 208.0548432 3429.26149 0 0 0 0 "Unambiguous" +5759548.336423 207.0663795 "C11H12O4" "O4" "CHO" 11 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.07365595216 207.06628241984 0.466566320272837 0.47 207 206.835167330805 0.164832669194794 6 0.363636363636364 1.09090909090909 2 16.0056583747692 15 0.9 24 0.5 208.0695905 215416.703515 209.0732857 2567.258091 0 0 "Unambiguous" +23682.539914 207.0815002 "C15H12O" "O" "CHO" 15 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.08877665216 207.08153855294 -0.184310468957946 0.18 207 206.850271146896 0.149728853103511 10 0.0666666666666667 0.8 9 16.0068319234692 16 1 32 0.4 0 0 0 0 0 0 "Unambiguous" +254573.369984 207.102668 "C12H16O3" "O3" "CHO" 12 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.10994445216 207.10266792514 0.000359713696090908 0 207 206.871415310742 0.128584689258105 5 0.25 1.33333333333333 2 16.0084572597923 15 0.9 26 0.6 0 0 0 0 0 0 "Unambiguous" +73980.185213 207.1391259 "C13H20O2" "O2" "CHO" 13 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 208.14640235216 207.13905343044 0.348166286693799 0.35 207 206.907832501525 0.0921674984749075 4 0.153846153846154 1.53846153846154 2 16.0112561448154 15 0.9 28 0.7 0 0 0 0 0 0 "Unambiguous" +2977023.826879 209.009277 "C9H6O6" "O6" "CHO" 9 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.01655345216 209.00916147304 0.550085019980388 0.55 209 208.7758953741 0.224104625900338 7 0.666666666666667 0.666666666666667 1 16.1551106096308 15 0.9 20 0.3 210.0126142 85653.049446 0 0 0 0 "Unambiguous" +9072233.42017 209.0456901 "C10H10O5" "O5" "CHO" 10 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.05296655216 209.04554697834 0.681359860638731 0.68 209 208.812267814907 0.187732185093097 6 0.5 1 1 16.1579094946538 15 0.9 22 0.5 210.0488696 277290.039211 0 0 0 0 "Unambiguous" +166123.477197 209.0606871 "C14H10O2" "O2" "CHO" 14 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.06796355216 209.06080311144 -0.552256698507968 0.55 209 208.827248069123 0.172751930877297 10 0.142857142857143 0.714285714285714 8 16.1590830433538 16 1 30 0.3 210.0641856 2126.578266 0 0 0 0 "Unambiguous" +528684.564047 209.0820067 "C11H14O4" "O4" "CHO" 11 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.08928315216 209.08193248364 0.353261046338997 0.35 209 208.848543863467 0.151456136533113 5 0.363636363636364 1.27272727272727 1 16.1607083796769 15 0.9 24 0.6 210.0855605 5442.983674 0 0 0 0 "Unambiguous" +12236.116012 209.0974176 "C15H14O" "O" "CHO" 15 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.10469405216 209.09718861674 1.08985313742904 1.09 209 208.863937555518 0.136062444481723 9 0.0666666666666667 0.933333333333333 8 16.1618819283769 16 1 32 0.4 0 0 0 0 0 0 "Unambiguous" +157281.465096 209.1183924 "C12H18O3" "O3" "CHO" 12 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.12566885216 209.11831798894 0.354126463553267 0.35 209 208.884888934869 0.115111065130776 4 0.25 1.5 1 16.1635072647 15 0.9 26 0.7 0 0 0 0 0 0 "Unambiguous" +30934.94183 209.1545947 "C13H22O2" "O2" "CHO" 13 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 210.16187115216 209.15470349424 -0.517668782752924 0.52 209 208.921050811058 0.0789491889423743 3 0.153846153846154 1.69230769230769 1 16.1663061497231 15 0.9 28 0.8 0 0 0 0 0 0 "Unambiguous" +18311.919025 210.988735 "C8H4O7" "O7" "CHO" 8 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 211.99601145216 210.98842603154 1.45742581604975 1.46 211 210.753143093613 0.246856906386796 7 0.875 0.5 0 16.3073617295154 15 0.9 18 0.2 0 0 0 0 0 0 "Unambiguous" +10486992.272146 211.0249862 "C9H8O6" "O6" "CHO" 9 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.03226265216 211.02481153684 0.823757468911462 0.82 211 210.789353815199 0.210646184800567 6 0.666666666666667 0.888888888888889 0 16.3101606145385 15 0.9 20 0.4 212.0282162 228242.950538 0 0 0 0 "Unambiguous" +256002.315428 211.040146 "C13H8O3" "O3" "CHO" 13 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.04742245216 211.04006766994 0.369398783875752 0.37 211 210.804496687631 0.195503312368686 10 0.230769230769231 0.615384615384615 7 16.3113341632385 16 1 28 0.3 212.0436939 3833.463618 0 0 0 0 "Unambiguous" +1251463.242932 211.0612798 "C10H12O5" "O5" "CHO" 10 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.06855625216 211.06119704214 0.390241068491768 0.39 211 210.825606889441 0.174393110558583 5 0.5 1.2 0 16.3129594995615 15 0.9 22 0.5 212.0644582 31181.572943 0 0 0 0 "Unambiguous" +194767.993122 211.076435 "C14H12O2" "O2" "CHO" 14 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.08371145216 211.07645317524 -0.0856984248181079 0.09 211 210.84074516701 0.159254832990285 9 0.142857142857143 0.857142857142857 7 16.3141330482615 16 1 30 0.4 0 0 0 0 0 0 "Unambiguous" +460787.740344 211.0976232 "C11H16O4" "O4" "CHO" 11 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.10489965216 211.09758254744 0.1916625219653 0.19 211 210.861909708076 0.138090291923703 4 0.363636363636364 1.45454545454545 0 16.3157583845846 15 0.9 24 0.7 212.1010221 13624.653159 0 0 0 0 "Unambiguous" +24548.273661 211.1127826 "C15H16O" "O" "CHO" 15 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.12005905216 211.11283868054 -0.264381125679438 0.26 211 210.877052180955 0.122947819045152 8 0.0666666666666667 1.06666666666667 7 16.3169319332846 16 1 32 0.5 0 0 0 0 0 0 "Unambiguous" +124768.020847 211.1340273 "C12H20O3" "O3" "CHO" 12 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.14130375216 211.13396805274 0.279282058466258 0.28 211 210.898273158933 0.101726841066949 3 0.25 1.66666666666667 0 16.3185572696077 15 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +7430.897567 211.1704002 "C13H24O2" "O2" "CHO" 13 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 212.17767665216 211.17035355804 0.219825010430416 0.22 211 210.934605444628 0.0653945553720519 2 0.153846153846154 1.84615384615385 0 16.3213561546308 15 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +574988.465214 213.0042017 "C8H6O7" "O7" "CHO" 8 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.01147815216 213.00407609534 0.586906184181484 0.59 213 212.766359305491 0.233640694509347 6 0.875 0.75 -1 16.4624117344231 15 0.9 18 0.3 214.0077301 5739.672561 0 0 0 0 "Unambiguous" +374690.920239 213.0194137 "C12H6O4" "O4" "CHO" 12 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.02669015216 213.01933222844 0.380660748202354 0.38 213 212.781554319636 0.218445680364454 10 0.333333333333333 0.5 6 16.4635852831231 16 1 26 0.2 214.0228031 3770.367404 0 0 0 0 "Unambiguous" +1694805.716094 213.0405898 "C9H10O6" "O6" "CHO" 9 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.04786625216 213.04046160064 0.598928465030889 0.6 213 212.802706774213 0.197293225786893 5 0.666666666666667 1.11111111111111 -1 16.4652106194462 15 0.9 20 0.5 0 0 0 0 0 0 "Unambiguous" +346478.04988 213.0557503 "C13H10O3" "O3" "CHO" 13 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.06302675216 213.05571773374 0.152133978871829 0.15 213 212.817850345863 0.182149654136623 9 0.230769230769231 0.769230769230769 6 16.4663841681462 16 1 28 0.4 214.0590951 5160.730378 0 0 0 0 "Unambiguous" +2371762.613237 213.0769068 "C10H14O5" "O5" "CHO" 10 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.08418325216 213.07684710594 0.278834517835258 0.28 213 212.838983222326 0.161016777673552 4 0.5 1.4 -1 16.4680095044692 15 0.9 22 0.6 214.0805986 79492.064136 0 0 0 0 "Unambiguous" +128115.092542 213.0921604 "C14H14O2" "O2" "CHO" 14 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.09943685216 213.09210323904 0.266983233827869 0.27 213 212.85421979002 0.145780209979563 8 0.142857142857143 1 6 16.4691830531692 16 1 30 0.5 214.0958449 3016.157133 0 0 0 0 "Unambiguous" +322565.934134 213.1133122 "C11H18O4" "O4" "CHO" 11 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.12058865216 213.11323261124 0.371700640760508 0.37 213 212.875347971732 0.124652028268429 3 0.363636363636364 1.63636363636364 -1 16.4708083894923 15 0.9 24 0.8 214.1165021 5308.893199 0 0 0 0 "Unambiguous" +18251.182384 213.1285911 "C15H18O" "O" "CHO" 15 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.13586755216 213.12848874434 0.47799400060652 0.48 213 212.890609811175 0.109390188824648 7 0.0666666666666667 1.2 6 16.4719819381923 16 1 32 0.6 0 0 0 0 0 0 "Unambiguous" +83461.768142 213.1496493 "C12H22O3" "O3" "CHO" 12 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.15692575216 213.14961811654 0.145610326968408 0.15 213 212.911644497401 0.0883555025988869 2 0.25 1.83333333333333 -1 16.4736072745154 15 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +6115.649255 213.1861169 "C13H26O2" "O2" "CHO" 13 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 214.19339335216 213.18600362184 0.528859262313358 0.53 213 212.948071377353 0.0519286226468409 1 0.153846153846154 2 -1 16.4764061595385 15 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +825719.971005 215.0198817 "C8H8O7" "O7" "CHO" 8 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.02715815216 215.01972615914 0.720006046237776 0.72 215 214.779788579195 0.220211420804588 5 0.875 1 -2 16.6174617393308 15 0.9 18 0.4 216.0230492 10863.467979 0 0 0 0 "Unambiguous" +373200.349796 215.0350945 "C12H8O4" "O4" "CHO" 12 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.04237095216 215.03498229224 0.519378488130762 0.52 215 214.794984392447 0.20501560755298 9 0.333333333333333 0.666666666666667 5 16.6186352880308 16 1 26 0.3 216.0383763 14140.319143 0 0 0 0 "Unambiguous" +5796039.807895 215.0562505 "C9H12O6" "O6" "CHO" 9 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.06352695216 215.05611166444 0.642568238985746 0.64 215 214.816116769468 0.183883230531592 4 0.666666666666667 1.33333333333333 -2 16.6202606243538 15 0.9 20 0.6 216.0595233 163322.766917 0 0 0 0 "Unambiguous" +385080.099429 215.0713959 "C13H12O3" "O3" "CHO" 13 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.07867235216 215.07136779754 0.130056611728207 0.13 215 214.831245257979 0.168754742020525 8 0.230769230769231 0.923076923076923 5 16.6214341730538 16 1 28 0.4 216.0747432 14695.738808 0 0 0 0 "Unambiguous" +2912395.528843 215.0926287 "C10H16O5" "O5" "CHO" 10 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.09990515216 215.09249716974 0.608654871521654 0.61 215 214.852454349245 0.147545650754694 3 0.5 1.6 -2 16.6230595093769 15 0.9 22 0.7 216.0959948 118624.862531 0 0 0 0 "Unambiguous" +115467.256487 215.1077618 "C14H16O2" "O2" "CHO" 14 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.11503825216 215.10775330284 0.0393177636539748 0.04 215 214.867570551491 0.132429448509356 7 0.142857142857143 1.14285714285714 5 16.6242330580769 16 1 30 0.5 216.1114321 8464.968183 0 0 0 0 "Unambiguous" +225408.691786 215.12901 "C11H20O4" "O4" "CHO" 11 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.13628645216 215.12888267504 0.58909571394173 0.59 215 214.888795025561 0.111204974439318 2 0.363636363636364 1.81818181818182 -2 16.6258583944 15 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +2529.371729 215.1439475 "C15H20O" "O" "CHO" 15 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.15122395216 215.14413880814 -0.885066188937685 0.89 215 214.903715846215 0.0962841537852341 6 0.0666666666666667 1.33333333333333 5 16.6270319431 16 1 32 0.6 0 0 0 0 0 0 "Unambiguous" +100696.902062 215.1653946 "C12H24O3" "O3" "CHO" 12 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 216.17267105216 215.16526818034 0.584808705886999 0.58 215 214.925138998191 0.0748610018086993 1 0.25 2 -2 16.6286572794231 15 0.9 26 0.9 216.1692388 3052.116729 0 0 0 0 "Unambiguous" +163394.52949 217.0143797 "C11H6O5" "O5" "CHO" 11 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.02165615216 217.01424685074 0.609339743385943 0.61 217 216.772059504911 0.227940495089427 9 0.454545454545455 0.545454545454545 4 16.7708864079154 16 1 24 0.2 0 0 0 0 0 0 "Unambiguous" +2192337.346586 217.0355552 "C8H10O7" "O7" "CHO" 8 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.04283165216 217.03537622294 0.820834414324723 0.82 217 216.793211360158 0.206788639841903 4 0.875 1.25 -3 16.7725117442385 15 0.9 18 0.6 218.0388651 49825.267962 0 0 0 0 "Unambiguous" +762100.947305 217.0507981 "C12H10O4" "O4" "CHO" 12 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.05807455216 217.05063235604 0.760090908520991 0.76 217 216.8084372398 0.191562760200213 8 0.333333333333333 0.833333333333333 4 16.7736852929385 16 1 26 0.4 218.0541091 42653.103584 0 0 0 0 "Unambiguous" +4485913.829129 217.071892 "C9H14O6" "O6" "CHO" 9 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.07916845216 217.07176172824 0.59735994460272 0.6 217 216.829507586163 0.170492413837422 3 0.666666666666667 1.55555555555556 -3 16.7753106292615 15 0.9 20 0.7 218.0749182 118699.342752 0 0 0 0 "Unambiguous" +385882.243169 217.0871336 "C13H14O3" "O3" "CHO" 13 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.09441005216 217.08701786134 0.530681460189781 0.53 217 216.844732167256 0.15526783274413 7 0.230769230769231 1.07692307692308 4 16.7764841779615 16 1 28 0.5 218.090539 5493.144143 0 0 0 0 "Unambiguous" +422156.442235 217.1082501 "C10H18O5" "O5" "CHO" 10 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.11552655216 217.10814723354 0.471614568901187 0.47 217 216.865825088383 0.134174911616668 2 0.5 1.8 -3 16.7781095142846 15 0.9 22 0.8 218.1118336 11187.043688 0 0 0 0 "Unambiguous" +85544.77095 217.1234554 "C14H18O2" "O2" "CHO" 14 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.13073185216 217.12340336664 0.238542087026751 0.24 217 216.88101341001 0.11898658999047 6 0.142857142857143 1.28571428571429 4 16.7792830629846 16 1 30 0.6 0 0 0 0 0 0 "Unambiguous" +33361.733296 217.1449852 "C11H22O4" "O4" "CHO" 11 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.15226165216 217.14453273884 2.07406128438951 2.07 217 216.902519169643 0.0974808303574832 1 0.363636363636364 2 -3 16.7809083993077 15 0.9 24 0.9 0 0 0 0 0 0 "Unambiguous" +2619.420469 217.1595148 "C15H22O" "O" "CHO" 15 22 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 218.16679125216 217.15978887194 -1.256249580539 1.26 217 216.917032545761 0.0829674542386556 5 0.0666666666666667 1.46666666666667 4 16.7820819480077 16 1 32 0.7 0 0 0 0 0 0 "Unambiguous" +10243.514398 218.9937668 "C10H4O6" "O6" "CHO" 10 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.00104325216 218.99351140924 1.16086158605355 1.16 219 218.749236403592 0.250763596408319 9 0.6 0.4 3 16.9231375278 16 0.9 22 0.2 0 0 0 0 0 0 "Unambiguous" +167004.723816 219.0147869 "C7H8O8" "O8" "CHO" 7 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.02206335216 219.01464078144 0.66410867060452 0.66 219 218.77023303236 0.229766967639762 4 1.14285714285714 1.14285714285714 -4 16.9247628641231 15 0.9 16 0.5 0 0 0 0 0 0 "Unambiguous" +1570577.947562 219.030076 "C11H8O5" "O5" "CHO" 11 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.03735245216 219.02989691454 0.813886633312784 0.81 219 218.785505060415 0.214494939585393 8 0.454545454545455 0.727272727272727 3 16.9259364128231 16 0.9 24 0.3 220.0335378 58870.379201 0 0 0 0 "Unambiguous" +1147020.12919 219.0511981 "C8H12O7" "O7" "CHO" 8 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.05847455216 219.05102628674 0.780761842194907 0.78 219 218.806603575289 0.193396424710954 3 0.875 1.5 -4 16.9275617491462 15 0.9 18 0.7 220.054628 23576.259862 0 0 0 0 "Unambiguous" +1491053.547799 219.0664277 "C12H12O4" "O4" "CHO" 12 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.07370415216 219.06628241984 0.660143203131134 0.66 219 218.821816169782 0.178183830218387 7 0.333333333333333 1 3 16.9287352978462 16 0.9 26 0.5 220.0699184 90986.564578 0 0 0 0 "Unambiguous" +134349.641578 219.0875946 "C9H16O6" "O6" "CHO" 9 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.09487105216 219.08741179204 0.830587097018648 0.83 219 218.842959434632 0.157040565368021 2 0.666666666666667 1.77777777777778 -4 16.9303606341692 15 0.9 20 0.8 0 0 0 0 0 0 "Unambiguous" +248657.557178 219.1028714 "C13H16O3" "O3" "CHO" 13 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.11014785216 219.10266792514 0.924422894566943 0.92 219 218.858219176421 0.141780823579381 6 0.230769230769231 1.23076923076923 3 16.9315341828692 16 0.9 28 0.6 0 0 0 0 0 0 "Unambiguous" +3522.035125 219.1239993 "C10H20O5" "O5" "CHO" 10 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.13127575216 219.12379729734 0.917646342290891 0.92 219 218.879323484819 0.120676515181259 1 0.5 2 -4 16.9331595191923 15 0.9 22 0.9 0 0 0 0 0 0 "Unambiguous" +65054.690767 219.1390483 "C14H20O2" "O2" "CHO" 14 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.14632475216 219.13905343044 -0.0233046815907439 0.02 219 218.894355680971 0.105644319029096 5 0.142857142857143 1.42857142857143 3 16.9343330678923 16 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +4239.674272 219.1751949 "C15H24O" "O" "CHO" 15 24 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 220.18247135216 219.17543893574 -1.10833409443341 1.11 219 218.930461919354 0.0695380806455717 4 0.0666666666666667 1.6 3 16.9371319529154 16 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +907522.403732 221.0093966 "C10H6O6" "O6" "CHO" 10 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.01667305216 221.00916147304 1.059050911693 1.06 221 220.76261553335 0.237384466649786 8 0.6 0.6 2 17.0781875327077 16 0.9 22 0.3 222.0128161 31702.353972 0 0 0 0 "Unambiguous" +139490.297504 221.0305452 "C7H10O8" "O8" "CHO" 7 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.03782165216 221.03029084524 1.14554699778554 1.15 221 220.783740518635 0.216259481365483 3 1.14285714285714 1.42857142857143 -5 17.0798128690308 15 0.9 16 0.6 0 0 0 0 0 0 "Unambiguous" +6810943.054305 221.0457335 "C11H10O5" "O5" "CHO" 11 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.05300995216 221.04554697834 0.839987082664241 0.84 221 220.798911859243 0.201088140756951 7 0.454545454545455 0.909090909090909 2 17.0809864177308 16 0.9 24 0.4 222.0491175 227245.691348 0 0 0 0 "Unambiguous" +11221.186215 221.0607739 "C15H10O2" "O2" "CHO" 15 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.06805035216 221.06080311144 -0.131542740957613 0.13 221 220.813935464998 0.186064535001975 11 0.133333333333333 0.666666666666667 9 17.0821599664308 17 1 32 0.3 0 0 0 0 0 0 "Unambiguous" +118604.035016 221.0668895 "C8H14O7" "O7" "CHO" 8 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.07416595216 221.06667635054 0.959812047968717 0.96 221 220.820044236264 0.179955763735535 2 0.875 1.75 -5 17.0826117540538 15 0.9 18 0.8 222.0696472 4203.505386 0 0 0 0 "Unambiguous" +983703.789079 221.0820994 "C12H14O4" "O4" "CHO" 12 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.08937585216 221.08193248364 0.751572916808213 0.75 221 220.835237152754 0.164762847245754 6 0.333333333333333 1.16666666666667 2 17.0837853027538 16 0.9 26 0.5 222.0855375 71528.717018 0 0 0 0 "Unambiguous" +2397.17693 221.0976921 "C16H14O" "O" "CHO" 16 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.10496855216 221.09718861674 2.26687076508218 2.27 221 220.850812441806 0.149187558193887 10 0.0625 0.875 9 17.0849588514538 17 1 34 0.4 0 0 0 0 0 0 "Unambiguous" +176658.604672 221.1184815 "C13H18O3" "O3" "CHO" 13 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.12575795216 221.11831798894 0.736119311495292 0.74 221 220.871578628176 0.128421371823663 5 0.230769230769231 1.38461538461538 2 17.0865841877769 16 0.9 28 0.6 222.121389 2747.535797 0 0 0 0 "Unambiguous" +29828.172637 221.1549882 "C14H22O2" "O2" "CHO" 14 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 222.16226465216 221.15470349424 1.28152168608209 1.28 221 220.908044564469 0.0919554355310197 4 0.142857142857143 1.57142857142857 2 17.0893830728 16 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +54716.428099 222.9884926 "C9H4O7" "O7" "CHO" 9 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 223.99576905216 222.98842603154 0.297186238298614 0.3 223 222.739501657076 0.260498342923825 8 0.777777777777778 0.444444444444444 1 17.2304386525923 16 0.9 20 0.2 0 0 0 0 0 0 "Unambiguous" +8908382.40537 223.0250447 "C10H8O6" "O6" "CHO" 10 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.03232115216 223.02481153684 1.04075679261459 1.04 223 222.776012942675 0.223987057325218 7 0.6 0.8 1 17.2332375376154 16 0.9 22 0.4 224.0283496 255781.961562 0 0 0 0 "Unambiguous" +24379.523463 223.0401946 "C14H8O3" "O3" "CHO" 14 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.04747105216 223.04006766994 0.566531991615235 0.57 223 222.791145926161 0.208854073838893 11 0.214285714285714 0.571428571428571 8 17.2344110863154 17 1 30 0.3 0 0 0 0 0 0 "Unambiguous" +4999890.538078 223.061371 "C11H12O5" "O5" "CHO" 11 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.06864745216 223.06119704214 0.776359664672227 0.78 223 222.812298680404 0.1877013195963 6 0.454545454545455 1.09090909090909 1 17.2360364226385 16 0.9 24 0.5 224.0646059 233001.200685 0 0 0 0 "Unambiguous" +100908.394302 223.0765702 "C15H12O2" "O2" "CHO" 15 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.08384665216 223.07645317524 0.52223648306507 0.52 223 222.827480908841 0.172519091158819 10 0.133333333333333 0.8 8 17.2372099713385 17 1 32 0.4 0 0 0 0 0 0 "Unambiguous" +320164.584676 223.0976742 "C12H16O4" "O4" "CHO" 12 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.10495065216 223.09758254744 0.40897159895469 0.41 223 222.848561343926 0.151438656073765 5 0.333333333333333 1.33333333333333 1 17.2388353076615 16 0.9 26 0.6 224.1013637 4372.526383 0 0 0 0 "Unambiguous" +111693.820865 223.1341136 "C13H20O3" "O3" "CHO" 13 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.14139005216 223.13396805274 0.649354677224866 0.65 223 222.884960055367 0.115039944633338 4 0.230769230769231 1.53846153846154 1 17.2416341926846 16 0.9 28 0.7 224.1376744 4827.126745 0 0 0 0 "Unambiguous" +5060.912481 223.1707925 "C14H24O2" "O2" "CHO" 14 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 224.17806895216 223.17035355804 1.9580058033799 1.96 223 222.921597999379 0.0784020006207413 3 0.142857142857143 1.71428571428571 1 17.2444330777077 16 0.9 30 0.8 0 0 0 0 0 0 "Unambiguous" +1508868.103266 225.0043308 "C9H6O7" "O7" "CHO" 9 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.01160725216 225.00407609534 1.12695389007237 1.13 225 224.753088954133 0.246911045866597 7 0.777777777777778 0.666666666666667 0 17.3854886575 16 0.9 20 0.3 226.0075608 76554.348624 0 0 0 0 "Unambiguous" +3751623.233935 225.0406744 "C10H10O6" "O6" "CHO" 10 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.04795085216 225.04046160064 0.941390351840939 0.94 225 224.789391972545 0.210608027455038 6 0.6 1 0 17.3882875425231 16 0.9 22 0.5 226.0439176 177058.527603 0 0 0 0 "Unambiguous" +237381.951892 225.0558685 "C14H10O3" "O3" "CHO" 14 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.06314495216 225.05571773374 0.666921005738915 0.67 225 224.804569106677 0.195430893322822 10 0.214285714285714 0.714285714285714 7 17.3894610912231 17 1 30 0.3 226.0591431 8307.647383 0 0 0 0 "Unambiguous" +901905.275395 225.0770309 "C11H14O5" "O5" "CHO" 11 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.08430735216 225.07684710594 0.812944791205868 0.81 225 224.825707876552 0.174292123447714 5 0.454545454545455 1.27272727272727 0 17.3910864275462 16 0.9 24 0.6 226.0804109 57525.099971 0 0 0 0 "Unambiguous" +90662.440399 225.0923169 "C15H14O2" "O2" "CHO" 15 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.09959335216 225.09210323904 0.9449860427351 0.94 225 224.840976808068 0.159023191931908 9 0.133333333333333 0.933333333333333 7 17.3922599762462 17 1 32 0.4 0 0 0 0 0 0 "Unambiguous" +362970.65502 225.1133937 "C12H18O4" "O4" "CHO" 12 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.12067015216 225.11323261124 0.712401744992222 0.71 225 224.862030073525 0.13796992647508 4 0.333333333333333 1.5 0 17.3938853125692 16 0.9 26 0.7 226.1167547 2613.504778 0 0 0 0 "Unambiguous" +6013.337852 225.128269 "C16H18O" "O" "CHO" 16 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.13554545216 225.12848874434 -0.971737280670915 0.97 225 224.876888763632 0.123111236367947 8 0.0625 1.125 7 17.3950588612692 17 1 34 0.5 0 0 0 0 0 0 "Unambiguous" +127872.076773 225.1499002 "C13H22O3" "O3" "CHO" 13 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.15717665216 225.14961811654 1.24728944778382 1.25 225 224.898495810041 0.101504189959115 3 0.230769230769231 1.69230769230769 0 17.3966841975923 16 0.9 28 0.8 0 0 0 0 0 0 "Unambiguous" +2241.977133 225.1860275 "C14H26O2" "O2" "CHO" 14 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 226.19330395216 225.18600362184 0.105565282331805 0.11 225 224.934582769975 0.0654172300250195 2 0.142857142857143 1.85714285714286 0 17.3994830826154 16 0.9 30 0.9 0 0 0 0 0 0 "Unambiguous" +22932.888168 226.983584 "C8H4O8" "O8" "CHO" 8 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 227.99086045216 226.98334065384 1.06735050485034 1.07 227 226.730132102328 0.269867897671531 7 1 0.5 -1 17.5377397773846 16 0.9 18 0.2 0 0 0 0 0 0 "Unambiguous" +814384.416295 227.0199835 "C9H8O7" "O7" "CHO" 9 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.02725995216 227.01972615914 1.12855305131865 1.13 227 226.766490958322 0.233509041678417 6 0.777777777777778 0.888888888888889 -1 17.5405386624077 16 0.9 20 0.4 228.02311 18375.271765 0 0 0 0 "Unambiguous" +386305.369679 227.0351589 "C13H8O4" "O4" "CHO" 13 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.04243535216 227.03498229224 0.774451297670918 0.77 227 226.781649413334 0.218350586665622 10 0.307692307692308 0.615384615384615 6 17.5417122111077 17 1 28 0.3 228.0385112 11184.139633 0 0 0 0 "Unambiguous" +2123638.899975 227.056289 "C10H12O6" "O6" "CHO" 10 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.06356545216 227.05611166444 0.777570760411354 0.78 227 226.802755919276 0.197244080724062 5 0.6 1.2 -1 17.5433375474308 16 0.9 22 0.5 228.0596424 83237.813347 0 0 0 0 "Unambiguous" +315493.653191 227.0715012 "C14H12O3" "O3" "CHO" 14 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.07877765216 227.07136779754 0.584896417664992 0.58 227 226.817951133198 0.182048866802489 9 0.214285714285714 0.857142857142857 6 17.5445110961308 17 1 30 0.4 228.0746636 11283.013023 0 0 0 0 "Unambiguous" +1110019.643087 227.0926662 "C11H16O5" "O5" "CHO" 11 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.09994265216 227.09249716974 0.741035960077282 0.74 227 226.839092500169 0.160907499830557 4 0.454545454545455 1.45454545454545 -1 17.5461364324538 16 0.9 24 0.7 228.0960862 50844.725737 0 0 0 0 "Unambiguous" +98861.711733 227.1079263 "C15H16O2" "O2" "CHO" 15 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.11520275216 227.10775330284 0.758376284964344 0.76 227 226.854335560605 0.145664439394551 8 0.133333333333333 1.06666666666667 6 17.5473099811538 17 1 32 0.5 0 0 0 0 0 0 "Unambiguous" +334701.885152 227.1289819 "C12H20O4" "O4" "CHO" 12 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.13625835216 227.12888267504 0.434937263864775 0.43 227 226.875367649734 0.124632350265586 3 0.333333333333333 1.66666666666667 -1 17.5489353174769 16 0.9 26 0.8 228.1326319 6405.963347 0 0 0 0 "Unambiguous" +7950.567787 227.1442038 "C16H20O" "O" "CHO" 16 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.15148025216 227.14413880814 0.284862758412032 0.28 227 226.890572552825 0.109427447175108 7 0.0625 1.25 6 17.5501088661769 17 1 34 0.6 0 0 0 0 0 0 "Unambiguous" +72218.760075 227.1655339 "C13H24O3" "O3" "CHO" 13 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.17281035216 227.16526818034 1.16455444273474 1.16 227 226.911878835445 0.0881211645553321 2 0.230769230769231 1.84615384615385 -1 17.5517342025 16 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +13184.414773 227.2018744 "C14H28O2" "O2" "CHO" 14 28 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 228.20915085216 227.20165368564 0.967158237027412 0.97 227 226.948178757318 0.0518212426822799 1 0.142857142857143 2 -1 17.5545330875231 16 0.9 30 0.9 0 0 0 0 0 0 "Unambiguous" +19457.268829 228.9991626 "C8H6O8" "O8" "CHO" 8 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.00643905216 228.99899071764 0.747293687583346 0.75 229 228.743460089257 0.256539910742646 6 1 0.75 -2 17.6927897822923 16 0.9 18 0.3 0 0 0 0 0 0 "Unambiguous" +295177.439231 229.0144913 "C12H6O5" "O5" "CHO" 12 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.02176775216 229.01424685074 1.06272229101591 1.06 229 228.758771673094 0.241228326905997 10 0.416666666666667 0.5 5 17.6939633309923 17 1 26 0.2 230.0178931 2427.218707 0 0 0 0 "Unambiguous" +1600404.403585 229.0355925 "C9H10O7" "O7" "CHO" 9 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.04286895216 229.03537622294 0.940159810232338 0.94 229 228.779849311306 0.220150688694417 5 0.777777777777778 1.11111111111111 -2 17.6955886673154 16 0.9 20 0.5 230.0387972 52610.330044 0 0 0 0 "Unambiguous" +572619.99851 229.0508412 "C13H10O4" "O4" "CHO" 13 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.05811765216 229.05063235604 0.907787832601672 0.91 229 228.795080984471 0.204919015529072 9 0.307692307692308 0.769230769230769 5 17.6967622160154 17 1 28 0.4 230.0541249 23478.225091 0 0 0 0 "Unambiguous" +5337295.531249 229.0719547 "C10H14O6" "O6" "CHO" 10 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.07923115216 229.07176172824 0.838718727544901 0.84 229 228.816170908948 0.18382909105182 4 0.6 1.4 -2 17.6983875523385 16 0.9 22 0.6 230.0752484 197405.263783 0 0 0 0 "Unambiguous" +295632.844158 229.0872406 "C14H14O3" "O3" "CHO" 14 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.09451705216 229.08701786134 0.968031150213304 0.97 229 228.831439740576 0.168560259424282 8 0.214285714285714 1 5 17.6995611010385 17 1 30 0.5 230.0910525 15420.966978 0 0 0 0 "Unambiguous" +805278.462078 229.1083202 "C11H18O5" "O5" "CHO" 11 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.11559665216 229.10814723354 0.751650312096353 0.75 229 228.852495802906 0.147504197093951 3 0.454545454545455 1.63636363636364 -2 17.7011864373615 16 0.9 24 0.8 230.111821 29823.572281 0 0 0 0 "Unambiguous" +73682.108813 229.1236085 "C15H18O2" "O2" "CHO" 15 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.13088495216 229.12340336664 0.891376922487339 0.89 229 228.867767031854 0.132232968146354 7 0.133333333333333 1.2 5 17.7023599860615 17 1 32 0.6 0 0 0 0 0 0 "Unambiguous" +229821.075904 229.1447849 "C12H22O4" "O4" "CHO" 12 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.15206135216 229.14453273884 1.0956285096733 1.1 229 228.888919786096 0.111080213903762 2 0.333333333333333 1.83333333333333 -2 17.7039853223846 16 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +44119.402299 229.1806414 "C13H26O3" "O3" "CHO" 13 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.18791785216 229.18091824414 -1.20268753708964 1.2 229 228.924736248408 0.0752637515919616 1 0.230769230769231 2 -2 17.7067842074077 16 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +52463.312172 229.1814232 "C13H26O3" "O3" "CHO" 13 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 230.18869965216 229.18091824414 2.19366050884447 2.19 229 228.925517175443 0.0744828245568385 1 0.230769230769231 2 -2 17.7067842074077 16 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +25598.842097 230.9937498 "C11H4O6" "O6" "CHO" 11 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.00102625216 230.99351140924 1.02754183393185 1.03 231 230.735820115371 0.264179884628987 10 0.545454545454545 0.363636363636364 4 17.8462144508769 17 1 24 0.2 0 0 0 0 0 0 "Unambiguous" +207140.226612 231.0148851 "C8H8O8" "O8" "CHO" 8 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.02216155216 231.01464078144 1.0529966549684 1.05 231 230.756931815506 0.243068184493779 5 1 1 -3 17.8478397872 16 0.9 18 0.4 0 0 0 0 0 0 "Unambiguous" +583774.577578 231.0300945 "C12H8O5" "O5" "CHO" 12 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.03737095216 231.02989691454 0.851524300423131 0.85 231 230.772124232554 0.22787576744571 9 0.416666666666667 0.666666666666667 4 17.8490133359 17 1 26 0.3 232.0335174 8716.823686 0 0 0 0 "Unambiguous" +2426591.571526 231.0512583 "C9H12O7" "O7" "CHO" 9 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.05853475216 231.05102628674 0.99980489938415 1 231 230.793264400866 0.20673559913385 4 0.777777777777778 1.33333333333333 -3 17.8506386722231 16 0.9 20 0.6 232.0546957 101599.452787 0 0 0 0 "Unambiguous" +808228.499262 231.0665006 "C13H12O4" "O4" "CHO" 13 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.07377705216 231.06628241984 0.940132757676816 0.94 231 230.808489681178 0.191510318822168 8 0.307692307692308 0.923076923076923 4 17.8518122209231 17 1 28 0.4 232.0698572 39532.691653 0 0 0 0 "Unambiguous" +3032051.917857 231.087631 "C10H16O6" "O6" "CHO" 10 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.09490745216 231.08741179204 0.944475526935632 0.94 231 230.829596486784 0.170403513215604 3 0.6 1.6 -3 17.8534375572462 16 0.9 22 0.7 232.0909153 146272.869776 0 0 0 0 "Unambiguous" +302805.682173 231.1027825 "C14H16O3" "O3" "CHO" 14 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.11005895216 231.10266792514 0.493622984327704 0.49 231 230.844731068484 0.155268931515877 7 0.214285714285714 1.14285714285714 4 17.8546111059462 17 1 30 0.5 232.106415 25356.449297 0 0 0 0 "Unambiguous" +192368.080645 231.1240434 "C11H20O5" "O5" "CHO" 11 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.13131985216 231.12379729734 1.06018722579614 1.06 231 230.865968228373 0.134031771626724 2 0.454545454545455 1.81818181818182 -3 17.8562364422692 16 0.9 24 0.8 232.1270971 4572.39494 0 0 0 0 "Unambiguous" +59345.436271 231.1392104 "C15H20O2" "O2" "CHO" 15 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.14648685216 231.13905343044 0.676165993764098 0.68 231 230.881118292766 0.118881707234436 6 0.133333333333333 1.33333333333333 4 17.8574099909692 17 1 32 0.6 0 0 0 0 0 0 "Unambiguous" +29256.760385 231.1604563 "C12H24O4" "O4" "CHO" 12 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 232.16773275216 231.16018280264 1.17801624171536 1.18 231 230.902340469404 0.0976595305961609 1 0.333333333333333 2 -3 17.8590353272923 16 0.9 26 0.9 0 0 0 0 0 0 "Unambiguous" +224089.466298 233.0094211 "C11H6O6" "O6" "CHO" 11 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.01669755216 233.00916147304 1.10943775698945 1.11 233 232.74924069879 0.25075930120974 9 0.545454545454545 0.545454545454545 3 18.0012644557846 17 0.9 24 0.2 234.0130693 3709.219417 0 0 0 0 "Unambiguous" +1523568.388452 233.0305373 "C8H10O8" "O8" "CHO" 8 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.03781375216 233.03029084524 1.05305529915479 1.05 233 232.770333320253 0.229666679747311 4 1 1.25 -4 18.0028897921077 16 0.9 18 0.6 234.0338187 61001.155475 235.0365625 15126.469713 0 0 "Unambiguous" +2054373.333034 233.0457444 "C12H10O5" "O5" "CHO" 12 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.05302085216 233.04554697834 0.84349118539852 0.84 233 232.785523439869 0.214476560131004 8 0.416666666666667 0.833333333333333 3 18.0040633408077 17 0.9 26 0.4 234.049006 151186.25918 0 0 0 0 "Unambiguous" +913065.535948 233.0668738 "C9H14O7" "O7" "CHO" 9 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.07415025216 233.06667635054 0.84353381099513 0.84 233 232.806629246592 0.193370753407805 3 0.777777777777778 1.55555555555556 -4 18.0056886771308 16 0.9 20 0.7 234.0702315 18828.62946 0 0 0 0 "Unambiguous" +970769.047234 233.0821129 "C13H14O4" "O4" "CHO" 13 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.08938935216 233.08193248364 0.770715667612964 0.77 233 232.821851330477 0.178148669523011 7 0.307692307692308 1.07692307692308 3 18.0068622258308 17 0.9 28 0.5 234.0856494 84018.827586 0 0 0 0 "Unambiguous" +149164.988538 233.1032381 "C10H18O6" "O6" "CHO" 10 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.11051455216 233.10306185584 0.75282462361554 0.75 233 232.84295294189 0.157047058110066 2 0.6 1.8 -4 18.0084875621538 16 0.9 22 0.8 0 0 0 0 0 0 "Unambiguous" +226469.072036 233.1185852 "C14H18O3" "O3" "CHO" 14 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.12586165216 233.11831798894 1.14131372815678 1.14 233 232.858282905181 0.141717094819001 6 0.214285714285714 1.28571428571429 3 18.0096611108538 17 0.9 30 0.6 234.1222649 2964.310305 0 0 0 0 "Unambiguous" +85680.601876 233.1547676 "C15H22O2" "O2" "CHO" 15 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 234.16204405216 233.15470349424 0.27376665703006 0.27 233 232.89442490359 0.105575096410092 5 0.133333333333333 1.46666666666667 3 18.0124599958769 17 0.9 32 0.7 0 0 0 0 0 0 "Unambiguous" +3006.268766 234.9889367 "C10H4O7" "O7" "CHO" 10 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 235.99621315216 234.98842603154 2.16388412842921 2.16 235 234.726545953987 0.273454046012858 9 0.7 0.4 2 18.1535155756692 17 0.9 22 0.2 0 0 0 0 0 0 "Unambiguous" +3069843.686881 235.025084 "C11H8O6" "O6" "CHO" 11 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.03236045216 235.02481153684 1.15434663060516 1.15 235 234.762652891589 0.237347108410972 8 0.545454545454545 0.727272727272727 2 18.1563144606923 17 0.9 24 0.3 236.0283033 179006.295976 0 0 0 0 "Unambiguous" +2338.315539 235.0401967 "C15H8O3" "O3" "CHO" 15 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.04747315216 235.04006766994 0.546627584093542 0.55 235 234.777748716613 0.222251283386811 12 0.2 0.533333333333333 9 18.1574880093923 18 1 32 0.2 0 0 0 0 0 0 "Unambiguous" +410986.773129 235.0461826 "C8H12O8" "O8" "CHO" 8 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.05345905216 235.04594090904 1.02388230612981 1.02 235 234.783727932704 0.216272067296217 3 1 1.5 -5 18.1579397970154 16 0.9 18 0.7 0 0 0 0 0 0 "Unambiguous" +4274131.898084 235.0614381 "C12H12O5" "O5" "CHO" 12 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.06871455216 235.06119704214 1.02113429325973 1.02 235 234.798966398276 0.201033601723793 7 0.416666666666667 1 2 18.1591133457154 17 0.9 26 0.5 236.0646889 223856.086665 0 0 0 0 "Unambiguous" +25528.345652 235.076907 "C16H12O2" "O2" "CHO" 16 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.08418345216 235.07645317524 1.92230056823337 1.92 235 234.814418025564 0.185581974435735 11 0.125 0.75 9 18.1602868944154 18 1 34 0.4 0 0 0 0 0 0 "Unambiguous" +13558.198579 235.0819829 "C9H16O7" "O7" "CHO" 9 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.08925935216 235.08232641434 -1.4550189234825 1.46 235 234.819488257769 0.180511742231005 2 0.777777777777778 1.77777777777778 -5 18.1607386820385 16 0.9 20 0.8 0 0 0 0 0 0 "Unambiguous" +617977.317646 235.0977597 "C13H16O4" "O4" "CHO" 13 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.10503615216 235.09758254744 0.750312500319625 0.75 235 234.835247441253 0.164752558746841 6 0.307692307692308 1.23076923076923 2 18.1619122307385 17 0.9 28 0.6 236.1011043 39502.69448 0 0 0 0 "Unambiguous" +206709.203579 235.1341787 "C14H20O3" "O3" "CHO" 14 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.14145515216 235.13396805274 0.892038459976478 0.89 235 234.871625775472 0.12837422452759 5 0.214285714285714 1.42857142857143 2 18.1647111157615 17 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +15789.611614 235.1702339 "C15H24O2" "O2" "CHO" 15 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 236.17751035216 235.17035355804 -0.506644514237715 0.51 235 234.907640715914 0.0923592840860294 4 0.133333333333333 1.6 2 18.1675100007846 17 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +686959.251447 237.0043116 "C10H6O7" "O7" "CHO" 10 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.01158805216 237.00407609534 0.989467201679783 0.99 237 236.739670468369 0.260329531630731 8 0.7 0.6 1 18.3085655805769 17 0.9 22 0.3 238.0074891 29097.037054 0 0 0 0 "Unambiguous" +7390051.467666 237.0407254 "C11H10O6" "O6" "CHO" 11 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.04800185216 237.04046160064 1.10817716572482 1.11 237 236.776043608395 0.2239563916051 7 0.545454545454545 0.909090909090909 1 18.3113644656 17 0.9 24 0.4 238.0440344 308903.337285 0 0 0 0 "Unambiguous" +201067.978505 237.0559553 "C15H10O3" "O3" "CHO" 15 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.06323175216 237.05571773374 0.997912437946281 1 237 236.791256502552 0.2087434974475 11 0.2 0.666666666666667 8 18.3125380143 18 1 32 0.3 238.0594152 2753.911591 0 0 0 0 "Unambiguous" +35640.299687 237.0619463 "C8H14O8" "O8" "CHO" 8 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.06922275216 237.06159097284 1.4925371531531 1.49 237 236.797240812948 0.20275918705164 2 1 1.75 -6 18.3129898019231 16 0.9 18 0.8 0 0 0 0 0 0 "Unambiguous" +1759599.210614 237.0770564 "C12H14O5" "O5" "CHO" 12 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.08433285216 237.07684710594 0.879075315542705 0.88 237 236.812334040876 0.187665959124274 6 0.416666666666667 1.16666666666667 1 18.3141633506231 17 0.9 26 0.5 238.0802989 142461.422956 0 0 0 0 "Unambiguous" +104741.282177 237.0922757 "C16H14O2" "O2" "CHO" 16 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.09955215216 237.09210323904 0.724322907912745 0.72 237 236.827536346869 0.17246365313062 10 0.125 0.875 8 18.3153368993231 18 1 34 0.4 0 0 0 0 0 0 "Unambiguous" +347048.839863 237.1133969 "C13H18O4" "O4" "CHO" 13 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.12067335216 237.11323261124 0.689939087150212 0.69 237 236.848633962749 0.151366037251222 5 0.307692307692308 1.38461538461538 1 18.3169622356462 17 0.9 28 0.6 238.116938 7723.136564 0 0 0 0 "Unambiguous" +154068.845961 237.1497751 "C14H22O3" "O3" "CHO" 14 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.15705155216 237.14961811654 0.659159403278606 0.66 237 236.884971542526 0.115028457474324 4 0.214285714285714 1.57142857142857 1 18.3197611206692 17 0.9 30 0.7 238.1535639 2293.854466 0 0 0 0 "Unambiguous" +5515.413294 237.185998 "C15H26O2" "O2" "CHO" 15 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 238.19327445216 237.18600362184 -0.0236020097629525 0.02 237 236.921153995712 0.0788460042880672 3 0.133333333333333 1.73333333333333 1 18.3225600056923 17 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +15947.053388 238.9835794 "C9H4O8" "O8" "CHO" 9 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 239.99085585216 238.98334065384 0.994813569650444 0.99 239 238.716728200262 0.283271799738174 8 0.888888888888889 0.444444444444444 0 18.4608167004615 17 0.9 20 0.2 0 0 0 0 0 0 "Unambiguous" +3500848.470467 239.020022 "C10H8O7" "O7" "CHO" 10 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.02729845216 239.01972615914 1.23253005761704 1.23 239 238.753130108129 0.246869891870887 7 0.7 0.8 0 18.4636155854846 17 0.9 22 0.4 240.0233274 155574.087428 0 0 0 0 "Unambiguous" +585478.181525 239.0351899 "C14H8O4" "O4" "CHO" 14 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.04246635216 239.03498229224 0.864879298835975 0.86 239 238.768281071516 0.231718928483531 11 0.285714285714286 0.571428571428571 7 18.4647891341846 18 1 30 0.3 240.038285 28488.919554 0 0 0 0 "Unambiguous" +2534571.55963 239.0563533 "C11H12O6" "O6" "CHO" 11 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.06362975216 239.05611166444 1.00654797346762 1.01 239 238.789420840275 0.210579159725029 6 0.545454545454545 1.09090909090909 0 18.4664144705077 17 0.9 24 0.5 240.0595617 165009.48618 0 0 0 0 "Unambiguous" +302714.745327 239.0715987 "C15H12O3" "O3" "CHO" 15 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.07887515216 239.07136779754 0.961777498571859 0.96 239 238.804649217125 0.195350782874868 10 0.2 0.8 7 18.4675880192077 18 1 32 0.4 240.0744328 6841.093575 0 0 0 0 "Unambiguous" +933158.222107 239.0926806 "C12H16O5" "O5" "CHO" 12 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.09995705216 239.09249716974 0.763974563955115 0.76 239 238.825707576887 0.174292423112746 5 0.416666666666667 1.33333333333333 0 18.4692133555308 17 0.9 26 0.6 240.0959796 64197.54685 0 0 0 0 "Unambiguous" +129798.388786 239.1079571 "C16H16O2" "O2" "CHO" 16 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.11523355216 239.10775330284 0.848747315955904 0.85 239 238.840967019011 0.159032980989139 9 0.125 1 7 18.4703869042308 18 1 34 0.5 0 0 0 0 0 0 "Unambiguous" +421805.218827 239.1290653 "C13H20O4" "O4" "CHO" 13 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.13634175216 239.12888267504 0.76050529735558 0.76 239 238.862051649406 0.137948350593803 4 0.307692307692308 1.53846153846154 0 18.4720122405538 17 0.9 28 0.7 240.1325257 5494.105237 0 0 0 0 "Unambiguous" +2713.070687 239.1445724 "C17H20O" "O" "CHO" 17 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.15184885216 239.14413880814 1.8054904096971 1.81 239 238.87754143404 0.122458565960216 8 0.0588235294117647 1.17647058823529 7 18.4731857892538 18 1 36 0.6 0 0 0 0 0 0 "Unambiguous" +112641.311941 239.1653751 "C14H24O3" "O3" "CHO" 14 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.17265155216 239.16526818034 0.445178330286779 0.45 239 238.898320905559 0.101679094440868 3 0.214285714285714 1.71428571428571 0 18.4748111255769 17 0.9 30 0.8 0 0 0 0 0 0 "Unambiguous" +11635.786583 239.2021133 "C15H28O2" "O2" "CHO" 15 28 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 240.20938975216 239.20165368564 1.91339048188453 1.91 239 238.935018083357 0.0649819166431769 2 0.133333333333333 1.86666666666667 0 18.4776100106 17 0.9 32 0.9 0 0 0 0 0 0 "Unambiguous" +557031.848562 240.9992652 "C9H6O8" "O8" "CHO" 9 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.00654165216 240.99899071764 1.1341939689911 1.13 241 240.73016326749 0.269836732509759 7 0.888888888888889 0.666666666666667 -1 18.6158667053692 17 0.9 20 0.3 242.0025518 10818.165465 0 0 0 0 "Unambiguous" +59289.745952 241.0142853 "C13H6O5" "O5" "CHO" 13 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.02156175216 241.01424685074 0.158867084978933 0.16 241 240.745166595912 0.254833404087577 11 0.384615384615385 0.461538461538462 6 18.6170402540692 18 1 28 0.2 0 0 0 0 0 0 "Unambiguous" +1370703.088112 241.0356112 "C10H10O7" "O7" "CHO" 10 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.04288765216 241.03537622294 0.970807538684271 0.97 241 240.766468683222 0.233531316778027 6 0.7 1 -1 18.6186655903923 17 0.9 22 0.5 242.0389263 46533.700421 0 0 0 0 "Unambiguous" +1615582.14799 241.05083 "C14H10O4" "O4" "CHO" 14 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.05810645216 241.05063235604 0.81651452568782 0.82 241 240.781670489774 0.218329510226084 10 0.285714285714286 0.714285714285714 6 18.6198391390923 18 1 30 0.3 242.0543005 102663.700766 0 0 0 0 "Unambiguous" +2033462.031012 241.0719461 "C11H14O6" "O6" "CHO" 11 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.07922255216 241.07176172824 0.761617449203838 0.76 241 240.802763011348 0.19723698865198 5 0.545454545454545 1.27272727272727 -1 18.6214644754154 17 0.9 24 0.6 242.0752735 103953.707325 0 0 0 0 "Unambiguous" +301759.928394 241.0871547 "C15H14O3" "O3" "CHO" 15 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.09443115216 241.08701786134 0.565228449744936 0.57 241 240.817954629289 0.182045370710597 9 0.2 0.933333333333333 6 18.6226380241154 18 1 32 0.4 242.0907695 8013.229305 0 0 0 0 "Unambiguous" +1370684.091823 241.1083373 "C12H18O5" "O5" "CHO" 12 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.11561375216 241.10814723354 0.785023555795781 0.79 241 240.839113576609 0.16088642339102 4 0.416666666666667 1.5 -1 18.6242633604385 17 0.9 26 0.7 242.1117547 71850.22159 0 0 0 0 "Unambiguous" +91494.2048 241.1234052 "C16H18O2" "O2" "CHO" 16 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.13068165216 241.12340336664 0.00757177902519407 0.01 241 240.854164651657 0.145835348342757 8 0.125 1.125 6 18.6254369091385 18 1 34 0.5 0 0 0 0 0 0 "Unambiguous" +339406.762566 241.1446805 "C13H22O4" "O4" "CHO" 13 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.15195695216 241.14453273884 0.610200148036801 0.61 241 240.875416195467 0.124583804532818 3 0.307692307692308 1.69230769230769 -1 18.6270622454615 17 0.9 28 0.8 242.1483681 9054.102511 0 0 0 0 "Unambiguous" +2141.593601 241.1593331 "C17H22O" "O" "CHO" 17 22 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.16660955216 241.15978887194 -1.8820593840496 1.88 241 240.890052434243 0.109947565756869 7 0.0588235294117647 1.29411764705882 6 18.6282357941615 18 1 36 0.6 0 0 0 0 0 0 "Unambiguous" +107747.466922 241.181089 "C14H26O3" "O3" "CHO" 14 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.18836545216 241.18091824414 0.705053934628431 0.71 241 240.911784041411 0.0882159585891884 2 0.214285714285714 1.85714285714286 -1 18.6298611304846 17 0.9 30 0.9 0 0 0 0 0 0 "Unambiguous" +27812.986203 241.2174109 "C15H30O2" "O2" "CHO" 15 30 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 242.22468735216 241.21730374944 0.442360195336048 0.44 241 240.948065384053 0.0519346159471752 1 0.133333333333333 2 -1 18.6326600155077 17 0.9 32 0.9 0 0 0 0 0 0 "Unambiguous" +283780.325468 243.0147995 "C9H8O8" "O8" "CHO" 9 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.02207595216 243.01464078144 0.650427054177385 0.65 243 242.743447003885 0.256552996115062 6 0.888888888888889 0.888888888888889 -2 18.7709167102769 17 0.9 20 0.4 0 0 0 0 0 0 "Unambiguous" +478121.587461 243.0301083 "C13H8O5" "O5" "CHO" 13 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.03738475216 243.02989691454 0.866201136320522 0.87 243 242.758738709942 0.241261290057906 10 0.384615384615385 0.615384615384615 5 18.7720902589769 18 1 28 0.3 244.033878 14851.330014 0 0 0 0 "Unambiguous" +3017112.445918 243.051237 "C10H12O7" "O7" "CHO" 10 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.05851345216 243.05102628674 0.863371889774235 0.86 243 242.779843817447 0.220156182553097 5 0.7 1.2 -2 18.7737155953 17 0.9 22 0.5 244.0546286 150142.663607 0 0 0 0 "Unambiguous" +675245.315657 243.0664567 "C14H12O4" "O4" "CHO" 14 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.07373315216 243.06628241984 0.714047176421635 0.71 243 242.795046522994 0.204953477006057 9 0.285714285714286 0.857142857142857 5 18.774889144 18 1 30 0.4 244.0699086 41498.944983 0 0 0 0 "Unambiguous" +2124335.460676 243.0876072 "C11H16O6" "O6" "CHO" 11 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.09488365216 243.08741179204 0.8005409909112 0.8 243 242.816173406157 0.183826593843321 4 0.545454545454545 1.45454545454545 -2 18.7765144803231 17 0.9 24 0.7 244.0909837 122542.405901 0 0 0 0 "Unambiguous" +233394.593018 243.1028166 "C15H16O3" "O3" "CHO" 15 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.11009305216 243.10266792514 0.609048393515564 0.61 243 242.831365823205 0.168634176795223 8 0.2 1.06666666666667 5 18.7776880290231 18 1 32 0.5 244.106055 9029.414881 0 0 0 0 "Unambiguous" +959437.750825 243.1239426 "C12H20O5" "O5" "CHO" 12 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.13121905216 243.12379729734 0.595182625826911 0.6 243 242.852468233724 0.147531766275563 3 0.416666666666667 1.66666666666667 -2 18.7793133653462 17 0.9 26 0.8 244.1272435 63358.824765 0 0 0 0 "Unambiguous" +108649.808267 243.1393524 "C16H20O2" "O2" "CHO" 16 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.14662885216 243.13905343044 1.22454920388534 1.22 243 242.867860827004 0.132139172995892 7 0.125 1.25 5 18.7804869140462 18 1 34 0.6 0 0 0 0 0 0 "Unambiguous" +266313.413097 243.1603949 "C13H24O4" "O4" "CHO" 13 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.16767135216 243.16018280264 0.868654555359206 0.87 243 242.888879830761 0.111120169239399 2 0.307692307692308 1.84615384615385 -2 18.7821122503692 17 0.9 28 0.9 244.1634754 8861.648221 0 0 0 0 "Unambiguous" +11514.313503 243.175672 "C17H24O" "O" "CHO" 17 24 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.18294845216 243.17543893574 0.954465745723111 0.95 243 242.904139872214 0.0958601277857554 6 0.0588235294117647 1.41176470588235 5 18.7832857990692 18 1 36 0.7 0 0 0 0 0 0 "Unambiguous" +139828.801687 243.1963347 "C14H28O3" "O3" "CHO" 14 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.20361115216 243.19656830794 -0.956611324876206 0.96 243 242.924779500059 0.0752204999411674 1 0.214285714285714 2 -2 18.7849111353923 17 0.9 30 0.9 244.2001494 5402.559999 0 0 0 0 "Unambiguous" +152651.597725 243.1971858 "C14H28O3" "O3" "CHO" 14 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 244.20446225216 243.19656830794 2.52858630963145 2.53 243 242.925629649713 0.0743703502870119 1 0.214285714285714 2 -2 18.7849111353923 17 0.9 30 0.9 244.2001494 5402.559999 0 0 0 0 "Unambiguous" +148030.293128 245.0094059 "C12H6O6" "O6" "CHO" 12 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.01668235216 245.00916147304 0.993538152316691 0.99 245 244.73582620856 0.2641737914403 10 0.5 0.5 4 18.9243413788615 18 1 26 0.2 0 0 0 0 0 0 "Unambiguous" +1011769.550306 245.0305333 "C9H10O8" "O8" "CHO" 9 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.03780975216 245.03029084524 0.985436995348977 0.99 245 244.756930017516 0.243069982483888 5 0.888888888888889 1.11111111111111 -3 18.9259667151846 17 0.9 20 0.5 0 0 0 0 0 0 "Unambiguous" +1015642.396225 245.0457889 "C13H10O5" "O5" "CHO" 13 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.05306535216 245.04554697834 0.983209291295685 0.98 245 244.772168582977 0.22783141702314 9 0.384615384615385 0.769230769230769 4 18.9271402638846 18 1 28 0.4 246.0492616 67166.845545 0 0 0 0 "Unambiguous" +3225712.607387 245.0668822 "C10H14O7" "O7" "CHO" 10 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.07415865216 245.06667635054 0.83653424300245 0.84 245 244.79323833001 0.206761669990328 4 0.7 1.4 -3 18.9287656002077 17 0.9 22 0.6 246.0702563 133300.013696 247.0733362 3927.246167 0 0 "Unambiguous" +859077.70455 245.0821137 "C14H14O4" "O4" "CHO" 14 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.08939015216 245.08193248364 0.736384286591802 0.74 245 244.808452822381 0.191547177619299 8 0.285714285714286 1 4 18.9299391489077 18 1 30 0.5 246.0855161 57352.402115 0 0 0 0 "Unambiguous" +1229966.557088 245.1032228 "C11H18O6" "O6" "CHO" 11 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.11049925216 245.10306185584 0.653950808641075 0.65 245 244.829538351771 0.170461648228951 3 0.545454545454545 1.63636363636364 -3 18.9315644852308 17 0.9 24 0.8 246.1066505 80150.780695 0 0 0 0 "Unambiguous" +241688.6333 245.1184603 "C15H18O3" "O3" "CHO" 15 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.12573675216 245.11831798894 0.578204709085203 0.58 245 244.844758837442 0.155241162557559 7 0.2 1.2 4 18.9327380339308 18 1 32 0.6 246.1218675 4607.431451 0 0 0 0 "Unambiguous" +227998.811569 245.1396392 "C12H22O5" "O5" "CHO" 12 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.14691565216 245.13944736114 0.779367311924831 0.78 245 244.865914088893 0.134085911106524 2 0.416666666666667 1.83333333333333 -3 18.9343633702538 17 0.9 26 0.8 246.1436152 2465.293531 0 0 0 0 "Unambiguous" +55460.088148 245.1548648 "C16H22O2" "O2" "CHO" 16 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.16214125216 245.15470349424 0.655282567749806 0.66 245 244.881122687852 0.118877312147504 6 0.125 1.375 4 18.9355369189538 18 1 34 0.6 0 0 0 0 0 0 "Unambiguous" +28910.409319 245.1760841 "C13H26O4" "O4" "CHO" 13 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 246.18336055216 245.17583286644 1.02051397555723 1.02 245 244.902318294193 0.097681705807446 1 0.307692307692308 2 -3 18.9371622552769 17 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +77940.536704 246.9887286 "C11H4O7" "O7" "CHO" 11 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 247.99600505216 246.98842603154 1.22005376645165 1.22 247 246.71293877915 0.287061220849552 10 0.636363636363636 0.363636363636364 3 19.0765924987462 18 0.9 24 0.2 0 0 0 0 0 0 "Unambiguous" +15534.802922 247.0096736 "C8H8O9" "O9" "CHO" 8 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.01695005216 247.00955540374 0.476565250972103 0.48 247 246.733860391776 0.266139608223654 5 1.125 1 -4 19.0782178350692 17 0.9 18 0.4 0 0 0 0 0 0 "Unambiguous" +982498.616554 247.025048 "C12H8O6" "O6" "CHO" 12 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.03232445216 247.02481153684 0.953356222942503 0.95 247 246.749217624584 0.250782375416065 9 0.5 0.666666666666667 3 19.0793913837692 18 0.9 26 0.3 248.0282834 67032.63798 0 0 0 0 "Unambiguous" +1285804.766064 247.046157 "C9H12O8" "O8" "CHO" 9 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.05343345216 247.04594090904 0.871146821077855 0.87 247 246.770303054086 0.229696945914043 4 0.888888888888889 1.33333333333333 -4 19.0810167200923 17 0.9 20 0.6 0 0 0 0 0 0 "Unambiguous" +2560349.74603 247.0614373 "C13H12O5" "O5" "CHO" 13 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.06871375216 247.06119704214 0.968513345966072 0.97 247 246.785566291966 0.214433708033539 8 0.384615384615385 0.923076923076923 3 19.0821902687923 18 0.9 28 0.4 248.06478 188130.359093 0 0 0 0 "Unambiguous" +833322.963088 247.0825106 "C10H16O7" "O7" "CHO" 10 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.08978705216 247.08232641434 0.742415325484772 0.74 247 246.806616061331 0.193383938668575 3 0.7 1.6 -4 19.0838156051154 17 0.9 22 0.7 248.0860497 37444.095388 0 0 0 0 "Unambiguous" +799418.022997 247.0977807 "C14H16O4" "O4" "CHO" 14 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.10505715216 247.09758254744 0.798663929962781 0.8 247 246.821869110601 0.178130889398659 7 0.285714285714286 1.14285714285714 3 19.0849891538154 18 0.9 30 0.5 248.1014315 65526.124649 0 0 0 0 "Unambiguous" +2941.409016 247.1135017 "C18H16O" "O" "CHO" 18 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.12077815216 247.11283868054 2.67216419738841 2.67 247 246.837572556392 0.162427443607697 11 0.0555555555555556 0.888888888888889 10 19.0861627025154 19 1 38 0.4 0 0 0 0 0 0 "Unambiguous" +50674.527504 247.1190621 "C11H20O6" "O6" "CHO" 11 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.12633855216 247.11871191964 1.41129862323684 1.41 247 246.8431267476 0.156873252400004 2 0.545454545454545 1.81818181818182 -4 19.0866144901385 17 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +248402.914361 247.1341433 "C15H20O3" "O3" "CHO" 15 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.14141975216 247.13396805274 0.706239450729341 0.71 247 246.858191107797 0.141808892202647 6 0.2 1.33333333333333 3 19.0877880388385 18 0.9 32 0.6 248.1374418 5358.940218 0 0 0 0 "Unambiguous" +35348.20769 247.1704291 "C16H24O2" "O2" "CHO" 16 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 248.17770555216 247.17035355804 0.304386567814689 0.3 247 246.894436390749 0.105563609251107 5 0.125 1.5 3 19.0905869238615 18 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +339284.750926 249.0042857 "C11H6O7" "O7" "CHO" 11 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.01156215216 249.00407609534 0.838379866098463 0.84 249 248.726245290086 0.27375470991359 9 0.636363636363636 0.545454545454545 2 19.2316425036538 18 0.9 24 0.2 250.00805 2925.862465 0 0 0 0 "Unambiguous" +80465.049235 249.0256762 "C8H10O9" "O9" "CHO" 8 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.03295265216 249.02520546754 1.88268168258936 1.88 249 248.747611905263 0.252388094736972 4 1.125 1.25 -5 19.2332678399769 17 0.9 18 0.6 0 0 0 0 0 0 "Unambiguous" +5526513.89336 249.0407333 "C12H10O6" "O6" "CHO" 12 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.04800975216 249.04046160064 1.08658877250822 1.09 249 248.762652192371 0.237347807629334 8 0.5 0.833333333333333 2 19.2344413886769 18 0.9 26 0.4 250.0440118 264181.099942 0 0 0 0 "Unambiguous" +30386.242312 249.0556077 "C16H10O3" "O3" "CHO" 16 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.06288415216 249.05571773374 -0.44002427784389 0.44 249 248.777509983483 0.22249001651727 12 0.1875 0.625 9 19.2356149373769 19 1 34 0.3 0 0 0 0 0 0 "Unambiguous" +307134.370162 249.0617867 "C9H14O8" "O8" "CHO" 9 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.06906315216 249.06159097284 0.782692419139893 0.78 249 248.783682083956 0.216317916043863 3 0.888888888888889 1.55555555555556 -5 19.236066725 17 0.9 20 0.7 0 0 0 0 0 0 "Unambiguous" +2848339.871451 249.0770735 "C13H14O5" "O5" "CHO" 13 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.08434995216 249.07684710594 0.905270801947747 0.91 249 248.798951814579 0.201048185421286 7 0.384615384615385 1.07692307692308 2 19.2372402737 18 0.9 28 0.5 250.0804525 210666.256008 0 0 0 0 "Unambiguous" +22635.05 249.0922822 "C17H14O2" "O2" "CHO" 17 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.09955865216 249.09210323904 0.715558879687931 0.72 249 248.814143532408 0.185856467591606 11 0.117647058823529 0.823529411764706 9 19.2384138224 19 1 36 0.4 0 0 0 0 0 0 "Unambiguous" +32914.49136 249.0983694 "C10H18O7" "O7" "CHO" 10 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.10564585216 249.09797647814 1.57102355161756 1.57 249 248.820223935387 0.179776064613492 2 0.7 1.8 -5 19.2388656100231 17 0.9 22 0.8 0 0 0 0 0 0 "Unambiguous" +603553.092902 249.1134083 "C14H18O4" "O4" "CHO" 14 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.12068475216 249.11323261124 0.702415956455556 0.7 249 248.835246042816 0.164753957183592 6 0.285714285714286 1.28571428571429 2 19.2400391587231 18 0.9 30 0.6 250.1168821 22592.816741 0 0 0 0 "Unambiguous" +221594.696342 249.1497299 "C15H22O3" "O3" "CHO" 15 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.15700635216 249.14961811654 0.446853204831493 0.45 249 248.871527085793 0.128472914206611 5 0.2 1.46666666666667 2 19.2428380437462 18 0.9 32 0.7 250.1530996 3288.249816 0 0 0 0 "Unambiguous" +4295.036028 249.1859976 "C16H26O2" "O2" "CHO" 16 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 250.19327405216 249.18600362184 -0.0240687525137407 0.02 249 248.907754288956 0.0922457110444554 4 0.125 1.625 2 19.2456369287692 18 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +2672269.923365 251.0200292 "C11H8O7" "O7" "CHO" 11 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.02730565216 251.01972615914 1.20241280684096 1.2 251 250.739737992887 0.260262007113482 8 0.636363636363636 0.727272727272727 1 19.3866925085615 18 0.9 24 0.3 252.023349 142407.992911 0 0 0 0 "Unambiguous" +43162.6936 251.0353774 "C15H8O4" "O4" "CHO" 15 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.04265385216 251.03498229224 1.56762259852504 1.57 251 250.755069054949 0.244930945050726 12 0.266666666666667 0.533333333333333 8 19.3878660572615 19 1 32 0.2 0 0 0 0 0 0 "Unambiguous" +6392969.523027 251.0564174 "C12H12O6" "O6" "CHO" 12 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.06369385216 251.05611166444 1.21292977712302 1.21 251 250.776085561497 0.223914438502703 7 0.5 1 1 19.3894913935846 18 0.9 26 0.5 252.0596832 339933.127816 0 0 0 0 "Unambiguous" +210642.067428 251.0715437 "C16H12O3" "O3" "CHO" 16 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.07882015216 251.07136779754 0.697807375861109 0.7 251 250.791194971336 0.208805028664386 11 0.1875 0.75 8 19.3906649422846 19 1 34 0.4 252.0751378 2932.612944 0 0 0 0 "Unambiguous" +1191822.520074 251.09273 "C13H16O5" "O5" "CHO" 13 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.10000645216 251.09249716974 0.923563086196895 0.92 251 250.812357614524 0.187642385476266 6 0.384615384615385 1.23076923076923 1 19.3922902786077 18 0.9 28 0.6 252.0959869 93564.527275 0 0 0 0 "Unambiguous" +48548.888498 251.1080227 "C17H16O2" "O2" "CHO" 17 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.11529915216 251.10775330284 1.06854744992747 1.07 251 250.827633238558 0.172366761441708 10 0.117647058823529 0.941176470588235 8 19.3934638273077 19 1 36 0.4 252.1114204 3229.591902 0 0 0 0 "Unambiguous" +517240.728329 251.1290599 "C14H20O4" "O4" "CHO" 14 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.13633635216 251.12888267504 0.702893373218941 0.7 251 250.848646948233 0.15135305176716 5 0.285714285714286 1.42857142857143 1 19.3950891636308 18 0.9 30 0.7 252.1324995 19996.388954 0 0 0 0 "Unambiguous" +2293.827452 251.14406 "C18H20O" "O" "CHO" 18 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.15133645216 251.14413880814 -0.312543019308265 0.31 251 250.863630298987 0.136369701012825 9 0.0555555555555556 1.11111111111111 8 19.3962627123308 19 1 38 0.5 0 0 0 0 0 0 "Unambiguous" +112270.6211 251.1655192 "C15H24O3" "O3" "CHO" 15 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 252.17279565216 251.16526818034 0.995427200421606 1 251 250.885065537453 0.114934462547239 4 0.2 1.6 1 19.3978880486538 18 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +456143.387303 252.9992571 "C10H6O8" "O8" "CHO" 10 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.00653355216 252.99899071764 1.04872247288586 1.05 253 252.716755869332 0.283244130668237 8 0.8 0.6 0 19.5389436284462 18 0.9 22 0.3 254.0026278 14792.347864 0 0 0 0 "Unambiguous" +8156.709269 253.0144815 "C14H6O5" "O5" "CHO" 14 6 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.02175795216 253.01424685074 0.923736855794255 0.92 253 252.731963269631 0.268036730369289 12 0.357142857142857 0.428571428571429 7 19.5401171771462 19 1 30 0.2 0 0 0 0 0 0 "Unambiguous" +4525387.553065 253.0356726 "C11H10O7" "O7" "CHO" 11 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.04294905216 253.03537622294 1.16664155063618 1.17 253 252.753130707459 0.24686929254085 7 0.636363636363636 0.909090909090909 0 19.5417425134692 18 0.9 24 0.4 254.0389576 222117.660514 0 0 0 0 "Unambiguous" +818053.413285 253.0508392 "C15H10O4" "O4" "CHO" 15 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.05811565216 253.05063235604 0.814160017954796 0.81 253 252.768280372298 0.231719627701892 11 0.266666666666667 0.666666666666667 7 19.5429160621692 19 1 32 0.3 254.0542475 63553.801943 0 0 0 0 "Unambiguous" +2238878.303125 253.0719741 "C12H14O6" "O6" "CHO" 12 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.07925055216 253.07176172824 0.835848498208627 0.84 253 252.78939167288 0.210608327120042 6 0.5 1.16666666666667 0 19.5445413984923 18 0.9 26 0.5 254.0752458 159531.076136 0 0 0 0 "Unambiguous" +263903.215484 253.0871887 "C16H14O3" "O3" "CHO" 16 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.09446515216 253.08701786134 0.672343098497392 0.67 253 252.804589284122 0.195410715878324 10 0.1875 0.875 7 19.5457149471923 19 1 34 0.4 254.0909411 13542.658359 0 0 0 0 "Unambiguous" +957898.17653 253.1083478 "C13H18O5" "O5" "CHO" 13 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.11562425216 253.10814723354 0.789272444831206 0.79 253 252.825724757682 0.17427524231843 5 0.384615384615385 1.38461538461538 0 19.5473402835154 18 0.9 28 0.6 254.1115318 75764.411026 0 0 0 0 "Unambiguous" +112970.630965 253.1237064 "C17H18O2" "O2" "CHO" 17 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.13098285216 253.12340336664 1.19242981163198 1.19 253 252.841066208132 0.158933791868378 9 0.117647058823529 1.05882352941176 7 19.5485138322154 19 1 36 0.5 0 0 0 0 0 0 "Unambiguous" +489407.404897 253.1448092 "C14H22O4" "O4" "CHO" 14 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.15208565216 253.14453273884 1.08777844287588 1.09 253 252.862145444557 0.137854555443397 4 0.285714285714286 1.57142857142857 0 19.5501391685385 18 0.9 30 0.7 254.1477301 22277.027134 0 0 0 0 "Unambiguous" +167336.979553 253.1812052 "C15H26O3" "O3" "CHO" 15 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.18848165216 253.18091824414 1.12890976855453 1.13 253 252.898500804458 0.101499195542146 3 0.2 1.73333333333333 0 19.5529380535615 18 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +16396.901739 253.2173452 "C16H30O2" "O2" "CHO" 16 30 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 254.22462165216 253.21730374944 0.163046992654173 0.16 253 252.934600450211 0.0653995497889923 2 0.125 1.875 0 19.5557369385846 18 0.9 34 0.9 0 0 0 0 0 0 "Unambiguous" +1457240.644325 255.0149094 "C10H8O8" "O8" "CHO" 10 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.02218585216 255.01464078144 1.0492003227539 1.05 255 254.730157473967 0.269842526033415 7 0.8 0.8 -1 19.6939936333538 18 0.9 22 0.4 256.0183311 69942.776991 0 0 0 0 "Unambiguous" +893423.911449 255.030152 "C14H8O5" "O5" "CHO" 14 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.03742845216 255.02989691454 0.996281916714601 1 255 254.745383053943 0.254616946056757 11 0.357142857142857 0.571428571428571 6 19.6951671820538 19 1 30 0.3 256.0336773 65282.146151 0 0 0 0 "Unambiguous" +2462088.185508 255.0512993 "C11H12O7" "O7" "CHO" 11 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.05857575216 255.05102628674 1.06621408490517 1.07 255 254.766506740679 0.233493259320824 6 0.636363636363636 1.09090909090909 -1 19.6967925183769 18 0.9 24 0.5 256.0544727 144933.816014 0 0 0 0 "Unambiguous" +1122187.099861 255.0664532 "C15H12O4" "O4" "CHO" 15 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.07372965216 255.06628241984 0.666917923463788 0.67 255 254.781643719699 0.218356280300952 10 0.266666666666667 0.8 6 19.6979660670769 19 1 32 0.4 256.0697705 100022.712352 0 0 0 0 "Unambiguous" +2136809.642655 255.0876204 "C12H16O6" "O6" "CHO" 12 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.09489685216 255.08741179204 0.814572889124796 0.81 255 254.802787284214 0.197212715785582 5 0.5 1.33333333333333 -1 19.6995914034 18 0.9 26 0.6 256.0911243 160675.25415 0 0 0 0 "Unambiguous" +275519.340761 255.1028446 "C16H16O3" "O3" "CHO" 16 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.11012105216 255.10266792514 0.68983943041026 0.69 255 254.817994484737 0.182005515263313 9 0.1875 1 6 19.7007649521 19 1 34 0.5 256.1063212 3780.705194 0 0 0 0 "Unambiguous" +1548077.392887 255.1239972 "C13H20O5" "O5" "CHO" 13 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.13127365216 255.12379729734 0.780469550548763 0.78 255 254.839123465555 0.160876534445435 4 0.384615384615385 1.53846153846154 -1 19.7023902884231 18 0.9 28 0.7 256.1272491 158858.870324 0 0 0 0 "Unambiguous" +87767.643066 255.1392557 "C17H20O2" "O2" "CHO" 17 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.14653215216 255.13905343044 0.789663472391597 0.79 255 254.854364927777 0.145635072222831 8 0.117647058823529 1.17647058823529 6 19.7035638371231 19 1 36 0.6 0 0 0 0 0 0 "Unambiguous" +399372.865921 255.1603621 "C14H24O4" "O4" "CHO" 14 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.16763855216 255.16018280264 0.699921976839294 0.7 255 254.875447760182 0.12455223981766 3 0.285714285714286 1.71428571428571 -1 19.7051891734462 18 0.9 30 0.8 256.1638956 14273.39948 0 0 0 0 "Unambiguous" +112047.331921 255.196819 "C15H28O3" "O3" "CHO" 15 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.20409545216 255.19656830794 0.978485763831879 0.98 255 254.911863952082 0.0881360479178568 2 0.2 1.86666666666667 -1 19.7079880584692 18 0.9 32 0.9 0 0 0 0 0 0 "Unambiguous" +611533.502576 255.2331537 "C16H32O2" "O2" "CHO" 16 32 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 256.24043015216 255.23295381324 0.780075025226648 0.78 255 254.948158080432 0.0518419195684885 1 0.125 2 -1 19.7107869434923 18 0.9 34 0.9 256.2366207 60551.468574 0 0 0 0 "Unambiguous" +96141.213288 256.9942556 "C9H6O9" "O9" "CHO" 9 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.00153205216 256.99390533994 1.35758907006686 1.36 257 256.707293518317 0.292706481683012 7 1 0.666666666666667 -2 19.8462447532385 18 0.9 20 0.3 0 0 0 0 0 0 "Unambiguous" +513347.171415 257.0094426 "C13H6O6" "O6" "CHO" 13 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.01671905216 257.00916147304 1.08956877316185 1.09 257 256.722463560377 0.27753643962285 11 0.461538461538462 0.461538461538462 5 19.8474183019385 19 1 28 0.2 258.0127648 24952.273065 0 0 0 0 "Unambiguous" +1191217.127306 257.0305356 "C10H10O8" "O8" "CHO" 10 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.03781205216 257.03029084524 0.948522846490803 0.95 257 256.743533007745 0.256466992255071 6 0.8 1 -2 19.8490436382615 18 0.9 22 0.5 0 0 0 0 0 0 "Unambiguous" +1426589.384372 257.0457722 "C14H10O5" "O5" "CHO" 14 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.05304865216 257.04554697834 0.872772715451628 0.87 257 256.758752594421 0.241247405578804 10 0.357142857142857 0.714285714285714 5 19.8502171869615 19 1 30 0.3 258.0491829 117602.62813 0 0 0 0 "Unambiguous" +3098710.570675 257.0668882 "C11H14O7" "O7" "CHO" 11 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.07416465216 257.06667635054 0.82088596625291 0.82 257 256.779845016107 0.220154983892996 5 0.636363636363636 1.27272727272727 -2 19.8518425232846 18 0.9 24 0.6 258.0703419 146851.235276 0 0 0 0 "Unambiguous" +736114.222475 257.0821266 "C15H14O4" "O4" "CHO" 15 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.08940305216 257.08193248364 0.752128362042411 0.75 257 256.795066400773 0.204933599226592 9 0.266666666666667 0.933333333333333 5 19.8530160719846 19 1 32 0.4 258.0853985 87327.711311 0 0 0 0 "Unambiguous" +2267483.72588 257.1032634 "C12H18O6" "O6" "CHO" 12 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.11053985216 257.10306185584 0.780844362736779 0.78 257 256.816179599234 0.183820400766308 4 0.5 1.5 -2 19.8546414083077 18 0.9 26 0.7 258.106687 161209.66357 0 0 0 0 "Unambiguous" +223981.591748 257.118491 "C16H18O3" "O3" "CHO" 16 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.12576745216 257.11831798894 0.67025877249561 0.67 257 256.83139019596 0.1686098040405 8 0.1875 1.125 5 19.8558149570077 19 1 34 0.5 258.1219055 10580.657976 0 0 0 0 "Unambiguous" +1086925.764265 257.1396117 "C13H22O5" "O5" "CHO" 13 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.14688815216 257.13944736114 0.636609881881323 0.64 257 256.852487312397 0.147512687602784 3 0.384615384615385 1.69230769230769 -2 19.8574402933308 18 0.9 28 0.8 258.1428692 66629.108757 0 0 0 0 "Unambiguous" +98988.608003 257.1549113 "C17H22O2" "O2" "CHO" 17 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.16218775216 257.15470349424 0.804942667275072 0.8 257 256.867769828727 0.132230171272852 7 0.117647058823529 1.29411764705882 5 19.8586138420308 19 1 36 0.6 0 0 0 0 0 0 "Unambiguous" +410545.350283 257.1760323 "C14H26O4" "O4" "CHO" 14 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.18330875216 257.17583286644 0.772449469962815 0.77 257 256.88886724483 0.111132755170161 2 0.285714285714286 1.85714285714286 -2 19.8602391783538 18 0.9 30 0.9 258.1796261 9663.313534 0 0 0 0 "Unambiguous" +2236.03739 257.1907989 "C18H26O" "O" "CHO" 18 26 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.19807535216 257.19108899954 -1.12355423099034 1.12 257 256.903617356312 0.0963826436876047 6 0.0555555555555556 1.44444444444444 5 19.8614127270538 19 1 38 0.7 0 0 0 0 0 0 "Unambiguous" +141932.479555 257.2124203 "C15H30O3" "O3" "CHO" 15 30 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 258.21969675216 257.21221837174 0.782001770452327 0.78 257 256.925214613664 0.0747853863359751 1 0.2 2 -2 19.8630380633769 18 0.9 32 0.9 258.215797 5555.041096 0 0 0 0 "Unambiguous" +73724.17578 259.0097617 "C9H8O9" "O9" "CHO" 9 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.01703815216 259.00955540374 0.793395161764278 0.79 259 258.7205490862 0.279450913799906 6 1 0.888888888888889 -3 20.0012947581462 18 0.9 20 0.4 0 0 0 0 0 0 "Unambiguous" +636631.018951 259.0250666 "C13H8O6" "O6" "CHO" 13 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.03234305216 259.02481153684 0.980890134733725 0.98 259 258.735836896612 0.264163103388 10 0.461538461538462 0.615384615384615 4 20.0024683068462 19 0.9 28 0.3 260.0285386 23551.04246 0 0 0 0 "Unambiguous" +2583470.921637 259.0461945 "C10H12O8" "O8" "CHO" 10 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.05347095216 259.04594090904 0.97514929948755 0.98 259 258.75694120501 0.243058794989906 5 0.8 1.2 -3 20.0040936431692 18 0.9 22 0.5 260.0494708 151414.928477 261.0523207 19682.915258 0 0 "Unambiguous" +1477659.753376 259.0614052 "C14H12O5" "O5" "CHO" 14 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.06868165216 259.06119704214 0.800395721211443 0.8 259 258.772134920607 0.227865079393382 9 0.357142857142857 0.857142857142857 4 20.0052671918692 19 0.9 30 0.4 260.0647629 112641.850036 0 0 0 0 "Unambiguous" +1993892.507542 259.0825145 "C11H16O7" "O7" "CHO" 11 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.08979095216 259.08232641434 0.723156642600443 0.72 259 258.793220649774 0.206779350226384 4 0.636363636363636 1.45454545454545 -3 20.0068925281923 18 0.9 24 0.7 260.0859655 131093.686775 0 0 0 0 "Unambiguous" +747690.128115 259.0977703 "C15H16O4" "O4" "CHO" 15 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.10504675216 259.09758254744 0.721833591288434 0.72 259 258.808459415011 0.191540584988957 8 0.266666666666667 1.06666666666667 4 20.0080660768923 19 0.9 32 0.5 260.1012041 48033.038449 0 0 0 0 "Unambiguous" +1122663.55513 259.1189314 "C12H20O6" "O6" "CHO" 12 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.12620785216 259.11871191964 0.84374566407586 0.84 259 258.829596886338 0.170403113662246 3 0.5 1.66666666666667 -3 20.0096914132154 18 0.9 26 0.8 260.1225127 93068.097192 0 0 0 0 "Unambiguous" +313955.25651 259.1341135 "C16H20O3" "O3" "CHO" 16 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.14138995216 259.13396805274 0.559108491159978 0.56 259 258.844762033869 0.155237966130699 7 0.1875 1.25 4 20.0108649619154 19 0.9 34 0.6 260.1376129 12734.765201 0 0 0 0 "Unambiguous" +286147.673009 259.1551841 "C13H24O5" "O5" "CHO" 13 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.16246055216 259.15509742494 0.333157442545595 0.33 259 258.865809106249 0.13419089375094 2 0.384615384615385 1.84615384615385 -3 20.0124902982385 18 0.9 28 0.9 260.1587418 6838.284104 0 0 0 0 "Unambiguous" +95527.82563 259.170611 "C17H24O2" "O2" "CHO" 17 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.17788745216 259.17035355804 0.989484396707855 0.99 259 258.881218780435 0.118781219565278 6 0.117647058823529 1.41176470588235 4 20.0136638469385 19 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +114660.077821 259.191555 "C14H28O4" "O4" "CHO" 14 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 260.19883145216 259.19148293024 0.276979568249023 0.28 259 258.902139394177 0.0978606058228024 1 0.285714285714286 2 -3 20.0152891832615 18 0.9 30 0.9 260.1948242 3908.668722 0 0 0 0 "Unambiguous" +146749.164756 261.0044219 "C12H6O7" "O7" "CHO" 12 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.01169835216 261.00407609534 1.31980618495001 1.32 261 260.712982030801 0.2870179691987 10 0.583333333333333 0.5 3 20.1547194267308 19 0.9 26 0.2 262.0075896 2116.716724 0 0 0 0 "Unambiguous" +315988.601226 261.0254538 "C9H10O9" "O9" "CHO" 9 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.03273025216 261.02520546754 0.947715423757812 0.95 261 260.733990446394 0.266009553606182 5 1 1.11111111111111 -4 20.1563447630538 18 0.9 20 0.5 0 0 0 0 0 0 "Unambiguous" +1871822.514381 261.0407486 "C13H10O6" "O6" "CHO" 13 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.04802505216 261.04046160064 1.09521664931585 1.1 261 260.749268168084 0.250731831916482 9 0.461538461538462 0.769230769230769 3 20.1575183117538 19 0.9 28 0.4 262.0441299 136836.596511 0 0 0 0 "Unambiguous" +9498.595557 261.055985 "C17H10O3" "O3" "CHO" 17 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.06326145216 261.05571773374 1.01985397937098 1.02 261 260.764487554983 0.235512445016809 13 0.176470588235294 0.588235294117647 10 20.1586918604538 20 1 36 0.3 0 0 0 0 0 0 "Unambiguous" +2056527.957617 261.0618248 "C10H14O8" "O8" "CHO" 10 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.06910125216 261.06159097284 0.892234753678321 0.89 261 260.77032083421 0.229679165789662 4 0.8 1.4 -4 20.1591436480769 18 0.9 22 0.6 262.0651439 116502.615761 0 0 0 0 "Unambiguous" +2569185.124569 261.0770837 "C14H14O5" "O5" "CHO" 14 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.08436015216 261.07684710594 0.902740094409725 0.9 261 260.785562695986 0.214437304013757 8 0.357142857142857 1 3 20.1603171967769 19 0.9 30 0.5 262.0803059 188069.166896 0 0 0 0 "Unambiguous" +3025.439667 261.0927073 "C18H14O2" "O2" "CHO" 18 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.09998375216 261.09210323904 2.30469667080722 2.3 261 260.801168850535 0.198831149465093 12 0.111111111111111 0.777777777777778 10 20.1614907454769 20 1 38 0.4 0 0 0 0 0 0 "Unambiguous" +506118.398703 261.098212 "C11H18O7" "O7" "CHO" 11 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.10548845216 261.09797647814 0.898576605209316 0.9 261 260.806667403938 0.193332596062305 3 0.636363636363636 1.63636363636364 -4 20.1619425331 18 0.9 24 0.8 262.1016966 23291.501539 0 0 0 0 "Unambiguous" +727668.228351 261.1134243 "C15H18O4" "O4" "CHO" 15 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.12070075216 261.11323261124 0.731299586319966 0.73 261 260.821862717748 0.178137282252351 7 0.266666666666667 1.2 3 20.1631160818 19 0.9 32 0.6 262.1167624 44904.730552 0 0 0 0 "Unambiguous" +94206.54985 261.1345363 "C12H22O6" "O6" "CHO" 12 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.14181275216 261.13436198344 0.664970453060459 0.66 261 260.8429511439 0.157048856100175 2 0.5 1.83333333333333 -4 20.1647414181231 18 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +242893.283224 261.1498918 "C16H22O3" "O3" "CHO" 16 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.15716825216 261.14961811654 1.0439671048883 1.04 261 260.858289497811 0.141710502188687 6 0.1875 1.375 3 20.1659149668231 19 0.9 34 0.6 262.1531898 6935.950784 0 0 0 0 "Unambiguous" +23874.513019 261.1862882 "C17H26O2" "O2" "CHO" 17 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 262.19356465216 261.18600362184 1.08537431261274 1.09 261 260.894645257266 0.10535474273405 5 0.117647058823529 1.52941176470588 3 20.1687138518462 19 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +6821.474586 262.9836043 "C11H4O8" "O8" "CHO" 11 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 263.99088075216 262.98334065384 0.998694194551939 1 263 262.689954458052 0.310045541947716 10 0.727272727272727 0.363636363636364 2 20.3069705466154 19 0.9 24 0.2 0 0 0 0 0 0 "Unambiguous" +1386849.518154 263.0200273 "C12H8O7" "O7" "CHO" 12 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.02730375216 263.01972615914 1.14056711438885 1.14 263 262.726336787805 0.273663212194947 9 0.583333333333333 0.666666666666667 2 20.3097694316385 19 0.9 26 0.3 264.0233475 117399.041012 0 0 0 0 "Unambiguous" +15040.885478 263.0355187 "C16H8O4" "O4" "CHO" 16 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.04279515216 263.03498229224 2.03151826094811 2.03 263 262.741810889969 0.258189110030571 13 0.25 0.5 9 20.3109429803385 20 1 34 0.2 0 0 0 0 0 0 "Unambiguous" +354311.905849 263.0410738 "C9H12O9" "O9" "CHO" 9 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.04835025216 263.04085553134 0.826623835469889 0.83 263 262.747359787095 0.252640212904907 4 1 1.33333333333333 -5 20.3113947679615 18 0.9 20 0.6 0 0 0 0 0 0 "Unambiguous" +6213961.157606 263.0564037 "C13H12O6" "O6" "CHO" 13 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.06368015216 263.05611166444 1.10592853900143 1.11 263 262.762672569592 0.237327430408186 8 0.461538461538462 0.923076923076923 2 20.3125683166615 19 0.9 28 0.4 264.0596871 365401.165157 0 0 0 0 "Unambiguous" +115596.00467 263.0716647 "C17H12O3" "O3" "CHO" 17 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.07894115216 263.07136779754 1.12429434427409 1.12 263 262.777916529023 0.222083470977111 12 0.176470588235294 0.705882352941177 9 20.3137418653615 20 1 36 0.3 0 0 0 0 0 0 "Unambiguous" +257962.442374 263.0774057 "C10H16O8" "O8" "CHO" 10 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.08468215216 263.07724103664 0.623524843123741 0.62 263 262.783651118571 0.216348881428985 3 0.8 1.6 -5 20.3141936529846 18 0.9 22 0.7 0 0 0 0 0 0 "Unambiguous" +2278395.4268 263.09274 "C14H16O5" "O5" "CHO" 14 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.10001645216 263.09249716974 0.919463252045557 0.92 263 262.798968296155 0.201031703845388 7 0.357142857142857 1.14285714285714 2 20.3153672016846 19 0.9 30 0.5 264.0961017 209310.189416 0 0 0 0 "Unambiguous" +13485.590888 263.1078139 "C18H16O2" "O2" "CHO" 18 16 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.11509035216 263.10775330284 0.229434675423417 0.23 263 262.814025364503 0.185974635496791 11 0.111111111111111 0.888888888888889 9 20.3165407503846 20 1 38 0.4 0 0 0 0 0 0 "Unambiguous" +697514.996642 263.1290799 "C15H20O4" "O4" "CHO" 15 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.13635635216 263.12888267504 0.746678581957324 0.75 263 262.835267618698 0.164732381302315 6 0.266666666666667 1.33333333333333 2 20.3181660867077 19 0.9 32 0.6 264.1326775 46540.246562 0 0 0 0 "Unambiguous" +133441.761476 263.1653826 "C16H24O3" "O3" "CHO" 16 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.17265905216 263.16526818034 0.433124534607623 0.43 263 262.871529782779 0.128470217221491 5 0.1875 1.5 2 20.3209649717308 19 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +3028.730545 263.2017407 "C17H28O2" "O2" "CHO" 17 28 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 264.20901715216 263.20165368564 0.329339100373905 0.33 263 262.907847284999 0.0921527150007364 4 0.117647058823529 1.64705882352941 2 20.3237638567538 19 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +230871.425534 264.9993222 "C11H6O8" "O8" "CHO" 11 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.00659865216 264.99899071764 1.24614337277532 1.25 265 264.703421589437 0.296578410562518 9 0.727272727272727 0.545454545454545 1 20.4620205515231 19 0.9 24 0.2 266.0032425 2355.141367 0 0 0 0 "Unambiguous" +5260841.456202 265.0356936 "C12H10O7" "O7" "CHO" 12 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.04297005216 265.03537622294 1.19295413050004 1.19 265 264.739752376807 0.26024762319264 8 0.583333333333333 0.833333333333333 1 20.4648194365462 19 0.9 26 0.4 266.0389645 273726.334431 0 0 0 0 "Unambiguous" +234758.844351 265.0509341 "C16H10O4" "O4" "CHO" 16 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.05821055216 265.05063235604 1.13412760075385 1.13 265 264.754975859129 0.245024140871124 12 0.25 0.625 8 20.4659929852462 20 1 34 0.3 266.0544348 5245.191925 0 0 0 0 "Unambiguous" +46449.810986 265.0568273 "C9H14O9" "O9" "CHO" 9 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.06410375216 265.05650559514 1.20912537802305 1.21 265 264.760862478729 0.239137521270891 3 1 1.55555555555556 -6 20.4664447728692 18 0.9 20 0.7 0 0 0 0 0 0 "Unambiguous" +4881574.7589 265.072012 "C13H14O6" "O6" "CHO" 13 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.07928845216 265.07176172824 0.940590909659749 0.94 265 264.776030223357 0.223969776642605 7 0.461538461538462 1.07692307692308 1 20.4676183215692 19 0.9 28 0.5 266.0753361 276473.987059 0 0 0 0 "Unambiguous" +157431.065977 265.0872272 "C17H14O3" "O3" "CHO" 17 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.09450365216 265.08701786134 0.786707944457024 0.79 265 264.791228433929 0.208771566070823 11 0.176470588235294 0.823529411764706 8 20.4687918702692 20 1 36 0.4 0 0 0 0 0 0 "Unambiguous" +1341929.333072 265.1083832 "C14H18O5" "O5" "CHO" 14 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.11565965216 265.10814723354 0.886706405528015 0.89 265 264.812360810951 0.187639189049378 6 0.357142857142857 1.28571428571429 1 20.4704172065923 19 0.9 30 0.6 266.1118752 122443.504189 0 0 0 0 "Unambiguous" +26840.986126 265.1234131 "C18H18O2" "O2" "CHO" 18 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.13068955216 265.12340336664 0.0365736098260883 0.04 265 264.82737392843 0.172626071569994 10 0.111111111111111 1 8 20.4715907552923 20 1 38 0.5 0 0 0 0 0 0 "Unambiguous" +521154.392956 265.1446899 "C15H22O4" "O4" "CHO" 15 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.15196635216 265.14453273884 0.59049407814803 0.59 265 264.848626970565 0.151373029434978 5 0.266666666666667 1.46666666666667 1 20.4732160916154 19 0.9 32 0.7 266.1483333 31672.581442 0 0 0 0 "Unambiguous" +114164.903518 265.1811664 "C16H26O3" "O3" "CHO" 16 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.18844285216 265.18091824414 0.932256326884629 0.93 265 264.885062740579 0.114937259420742 4 0.1875 1.625 1 20.4760149766385 19 0.9 34 0.8 266.1845563 6708.170484 0 0 0 0 "Unambiguous" +3975.086784 265.2180152 "C17H30O2" "O2" "CHO" 17 30 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 266.22529165216 265.21730374944 2.67236277832957 2.67 265 264.92187039488 0.0781296051199547 3 0.117647058823529 1.76470588235294 1 20.4788138616615 19 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +1514997.66012 267.0149612 "C11H8O8" "O8" "CHO" 11 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.02223765216 267.01464078144 1.19549244431858 1.2 267 266.716809908923 0.283190091076733 8 0.727272727272727 0.727272727272727 0 20.6170705564308 19 0.9 24 0.3 268.0183248 111416.22225 0 0 0 0 "Unambiguous" +287538.133454 267.0301252 "C15H8O5" "O5" "CHO" 15 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.03740165216 267.02989691454 0.851692556939123 0.85 267 266.731956976665 0.268043023334656 12 0.333333333333333 0.533333333333333 7 20.6182441051308 20 1 32 0.2 268.033762 10288.336978 0 0 0 0 "Unambiguous" +4704330.647399 267.0513741 "C12H12O7" "O7" "CHO" 12 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.05865055216 267.05102628674 1.29752671382726 1.3 267 266.753182149954 0.246817850046227 7 0.583333333333333 1 0 20.6198694414538 19 0.9 26 0.5 268.0545907 257999.732209 269.0579759 2499.049455 0 0 "Unambiguous" +636621.25428 267.0664972 "C16H12O4" "O4" "CHO" 16 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.07377365216 267.06628241984 0.80119795797157 0.8 267 266.768288363365 0.23171163663477 11 0.25 0.75 7 20.6210429901538 20 1 34 0.4 268.0700056 69710.466717 0 0 0 0 "Unambiguous" +1891223.754413 267.0876381 "C13H16O6" "O6" "CHO" 13 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.09491455216 267.08741179204 0.844133729271978 0.84 267 266.789405657247 0.210594342752586 6 0.461538461538462 1.23076923076923 0 20.6226683264769 19 0.9 28 0.6 268.0909698 118286.708643 0 0 0 0 "Unambiguous" +248510.874344 267.1028973 "C17H16O3" "O3" "CHO" 17 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.11017375216 267.10266792514 0.85552464044211 0.86 267 266.804647818688 0.195352181311648 10 0.176470588235294 0.941176470588235 7 20.6238418751769 20 1 36 0.4 268.1064995 12051.85137 0 0 0 0 "Unambiguous" +1227773.49312 267.124018 "C14H20O5" "O5" "CHO" 14 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.13129445216 267.12379729734 0.82311414055033 0.82 267 266.825744935126 0.174255064873932 5 0.357142857142857 1.42857142857143 0 20.6254672115 19 0.9 30 0.7 268.1273448 104131.258934 0 0 0 0 "Unambiguous" +99644.903594 267.1390936 "C18H20O2" "O2" "CHO" 18 20 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.14637005216 267.13905343044 0.149804601125679 0.15 267 266.840803701576 0.159196298423524 9 0.111111111111111 1.11111111111111 7 20.6266407602 20 1 38 0.5 0 0 0 0 0 0 "Unambiguous" +442745.332541 267.1603995 "C15H24O4" "O4" "CHO" 15 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.16767595216 267.16018280264 0.808066666516747 0.81 267 266.862085811218 0.137914188781849 4 0.266666666666667 1.6 0 20.6282660965231 19 0.9 32 0.8 268.1636587 11277.259181 0 0 0 0 "Unambiguous" +16082.968155 267.17562 "C19H24O" "O" "CHO" 19 24 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.18289645216 267.17543893574 0.67515215325135 0.68 267 266.877289315872 0.122710684128151 8 0.0526315789473684 1.26315789473684 7 20.6294396452231 20 1 40 0.6 0 0 0 0 0 0 "Unambiguous" +100317.351456 267.196783 "C16H28O3" "O3" "CHO" 16 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.20405945216 267.19656830794 0.800480277782156 0.8 267 266.898428685077 0.101571314922978 3 0.1875 1.75 0 20.6310649815462 19 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +4226.04548 267.2327769 "C17H32O2" "O2" "CHO" 17 32 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 268.24005335216 267.23295381324 -0.65953327178579 0.66 267 266.934382393967 0.0656176060332996 2 0.117647058823529 1.88235294117647 0 20.6338638665692 19 0.9 36 0.9 0 0 0 0 0 0 "Unambiguous" +219111.252598 268.9941667 "C10H6O9" "O9" "CHO" 10 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.00144315216 268.99390533994 0.967995048259949 0.97 269 268.69380541038 0.306194589619508 8 0.9 0.6 -1 20.7693216763154 19 0.9 22 0.3 269.9976543 4254.388019 0 0 0 0 "Unambiguous" +12065.044606 269.0093897 "C14H6O6" "O6" "CHO" 14 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.01666615216 269.00916147304 0.845232863848719 0.85 269 268.709011412243 0.290988587757283 12 0.428571428571429 0.428571428571429 6 20.7704952250154 20 1 30 0.2 0 0 0 0 0 0 "Unambiguous" +1925505.12502 269.030589 "C11H10O8" "O8" "CHO" 11 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.03786545216 269.03029084524 1.10412204415742 1.1 269 268.730187040915 0.269812959085016 7 0.727272727272727 0.909090909090909 -1 20.7721205613385 19 0.9 24 0.4 270.0339333 102896.390555 0 0 0 0 "Unambiguous" +1437202.795007 269.0458249 "C15H10O5" "O5" "CHO" 15 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.05310135216 269.04554697834 1.02913707947535 1.03 269 268.745405928373 0.254594071627082 11 0.333333333333333 0.666666666666667 6 20.7732941100385 20 1 32 0.3 270.0491262 111874.749197 0 0 0 0 "Unambiguous" +2896327.325248 269.0669373 "C12H14O7" "O7" "CHO" 12 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.07421375216 269.06667635054 0.966213902476917 0.97 269 268.766494754078 0.233505245921549 6 0.583333333333333 1.16666666666667 -1 20.7749194463615 19 0.9 26 0.5 270.0703643 178072.243124 271.0734016 4646.298752 0 0 "Unambiguous" +860476.602867 269.0821737 "C16H14O4" "O4" "CHO" 16 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.08945015216 269.08193248364 0.893098045331793 0.89 269 268.781714140978 0.218285859021876 10 0.25 0.875 6 20.7760929950615 20 1 34 0.4 270.0855819 115320.951181 0 0 0 0 "Unambiguous" +2096537.73502 269.1032757 "C13H18O6" "O6" "CHO" 13 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.11055215216 269.10306185584 0.791691247465062 0.79 269 268.802792578296 0.197207421703638 5 0.461538461538462 1.38461538461538 -1 20.7777183313846 19 0.9 28 0.6 270.1066731 163440.741608 271.1097382 2215.241691 0 0 "Unambiguous" +288794.94933 269.1185128 "C17H18O3" "O3" "CHO" 17 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.12578925216 269.11831798894 0.721186453890525 0.72 269 268.818012664414 0.181987335585575 9 0.176470588235294 1.05882352941176 6 20.7788918800846 20 1 36 0.5 270.1219213 14551.27806 0 0 0 0 "Unambiguous" +1272983.294175 269.1396611 "C14H22O5" "O5" "CHO" 14 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.14693755216 269.13944736114 0.791194828763805 0.79 269 268.839137350034 0.160862649966305 4 0.357142857142857 1.57142857142857 -1 20.7805172164077 19 0.9 30 0.7 270.1432051 125806.550505 0 0 0 0 "Unambiguous" +134336.864375 269.1550084 "C18H22O2" "O2" "CHO" 18 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.16228485216 269.15470349424 1.12860224057774 1.13 269 268.854467513101 0.145532486898617 8 0.111111111111111 1.22222222222222 6 20.7816907651077 20 1 38 0.6 270.1583774 2166.860793 0 0 0 0 "Unambiguous" +356814.919024 269.176033 "C15H26O4" "O4" "CHO" 15 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.18330945216 269.17583286644 0.740732506565124 0.74 269 268.875468636845 0.124531363154745 3 0.266666666666667 1.73333333333333 -1 20.7833161014308 19 0.9 32 0.8 270.1790498 19838.339351 0 0 0 0 "Unambiguous" +265861.258446 269.2124034 "C16H30O3" "O3" "CHO" 16 30 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.21967985216 269.21221837174 0.684732733513878 0.68 269 268.911798425332 0.0882015746682896 2 0.1875 1.875 -1 20.7861149864538 19 0.9 34 0.9 270.2157478 10390.911444 0 0 0 0 "Unambiguous" +45882.261713 269.2489898 "C17H34O2" "O2" "CHO" 17 34 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 270.25626625216 269.24860387704 1.42798894302947 1.43 269 268.948343972631 0.051656027369404 1 0.117647058823529 2 -1 20.7889138714769 19 0.9 36 0.9 0 0 0 0 0 0 "Unambiguous" +288063.339738 271.0098361 "C10H8O9" "O9" "CHO" 10 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.01711255216 271.00955540374 1.03190662276986 1.03 271 270.707224095921 0.292775904078724 7 0.9 0.8 -2 20.9243716812231 19 0.9 22 0.4 272.0131234 10233.834241 273.0157436 5904.448348 0 0 "Unambiguous" +778405.974282 271.0251018 "C14H8O6" "O6" "CHO" 14 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.03237825216 271.02481153684 1.06701695544472 1.07 271 270.722472750104 0.277527249895627 11 0.428571428571429 0.571428571428571 5 20.9255452299231 20 1 30 0.3 272.0286754 45262.31537 0 0 0 0 "Unambiguous" +2494074.506027 271.0462254 "C11H12O8" "O8" "CHO" 11 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.05350185216 271.04594090904 1.04571695679123 1.05 271 270.743572763304 0.256427236696084 6 0.727272727272727 1.09090909090909 -2 20.9271705662462 19 0.9 24 0.5 272.0496647 154368.590517 0 0 0 0 "Unambiguous" +1786703.260513 271.0614383 "C15H12O5" "O5" "CHO" 15 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.06871475216 271.06119704214 0.886753407981047 0.89 271 270.758768676444 0.241231323556178 10 0.333333333333333 0.8 5 20.9283441149462 20 1 32 0.4 272.064843 174108.009366 0 0 0 0 "Unambiguous" +2711758.264669 271.0825518 "C12H16O7" "O7" "CHO" 12 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.08982825216 271.08232641434 0.828350186486122 0.83 271 270.779858600921 0.220141399078898 5 0.583333333333333 1.33333333333333 -2 20.9299694512692 19 0.9 26 0.6 272.0859589 175027.817164 0 0 0 0 "Unambiguous" +710382.288975 271.0977717 "C16H16O4" "O4" "CHO" 16 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.10504815216 271.09758254744 0.695145354062508 0.7 271 270.795061506245 0.204938493755208 9 0.25 1 5 20.9311429999692 20 1 34 0.5 272.1011889 94770.297626 0 0 0 0 "Unambiguous" +2193141.942978 271.1188948 "C13H20O6" "O6" "CHO" 13 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.12617125216 271.11871191964 0.672042527769661 0.67 271 270.816161020003 0.183838979997347 4 0.461538461538462 1.53846153846154 -2 20.9327683362923 19 0.9 28 0.7 272.1224317 173610.156067 0 0 0 0 "Unambiguous" +354698.484034 271.1341945 "C17H20O3" "O3" "CHO" 17 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.14147095216 271.13396805274 0.832093907621466 0.83 271 270.831443636221 0.168556363779089 8 0.176470588235294 1.17647058823529 5 20.9339418849923 20 1 36 0.6 272.1375841 28958.373863 0 0 0 0 "Unambiguous" +1271306.636767 271.1553271 "C14H24O5" "O5" "CHO" 14 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.16260355216 271.15509742494 0.843889120118492 0.84 271 270.852552639371 0.14744736062903 3 0.357142857142857 1.71428571428571 -2 20.9355672213154 19 0.9 30 0.8 272.1587559 119671.711764 0 0 0 0 "Unambiguous" +89576.53769 271.1705874 "C18H24O2" "O2" "CHO" 18 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.17786385216 271.17035355804 0.859151279507966 0.86 271 270.867795899584 0.132204100416345 7 0.111111111111111 1.33333333333333 5 20.9367407700154 20 1 38 0.6 0 0 0 0 0 0 "Unambiguous" +458957.451946 271.1916522 "C15H28O4" "O4" "CHO" 15 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.19892865216 271.19148293024 0.621860493206678 0.62 271 270.88883717844 0.111162821560185 2 0.266666666666667 1.86666666666667 -2 20.9383661063385 19 0.9 32 0.9 272.1951064 35037.685785 0 0 0 0 "Unambiguous" +425091.689286 271.2281058 "C16H32O3" "O3" "CHO" 16 32 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 272.23538225216 271.22786843554 0.87190892695903 0.87 271 270.925250074024 0.0747499259756523 1 0.1875 2 -2 20.9411649913615 19 0.9 34 0.9 272.2316637 28970.512713 0 0 0 0 "Unambiguous" +398495.724869 273.0044159 "C13H6O7" "O7" "CHO" 13 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.01169235216 273.00407609534 1.2401100738171 1.24 273 272.699576730298 0.300423269702094 11 0.538461538461538 0.461538461538462 4 21.0777963498077 20 0.9 28 0.2 274.0075747 8604.533554 0 0 0 0 "Unambiguous" +584903.889194 273.0254717 "C10H10O9" "O9" "CHO" 10 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.03274815216 273.02520546754 0.97153519727237 0.97 273 272.720609019204 0.27939098079645 6 0.9 1 -3 21.0794216861308 19 0.9 22 0.5 0 0 0 0 0 0 "Unambiguous" +1380183.65296 273.0407619 "C14H10O6" "O6" "CHO" 14 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.04803835216 273.04046160064 1.09579094890729 1.1 273 272.73588214603 0.26411785397039 10 0.428571428571429 0.714285714285714 4 21.0805952348308 20 0.9 30 0.3 274.0441618 130810.775901 0 0 0 0 "Unambiguous" +2581740.265591 273.0618272 "C11H14O8" "O8" "CHO" 11 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.06910365216 273.06159097284 0.861925539310098 0.86 273 272.756923924327 0.243076075672604 5 0.727272727272727 1.27272727272727 -3 21.0822205711538 19 0.9 24 0.6 274.0652641 145044.328692 0 0 0 0 "Unambiguous" +1641247.787022 273.0770666 "C15H14O5" "O5" "CHO" 15 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.08434305216 273.07684710594 0.800826700289619 0.8 273 272.772146307877 0.227853692122721 9 0.333333333333333 0.933333333333333 4 21.0833941198538 20 0.9 32 0.4 274.0803538 169889.975827 0 0 0 0 "Unambiguous" +1920329.031599 273.0981813 "C12H18O7" "O7" "CHO" 12 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.10545775216 273.09797647814 0.747237438217309 0.75 273 272.793237431015 0.206762568985368 4 0.583333333333333 1.5 -3 21.0850194561769 19 0.9 26 0.7 274.1015708 114097.26361 0 0 0 0 "Unambiguous" +665821.598004 273.1134816 "C16H18O4" "O4" "CHO" 16 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.12075805216 273.11323261124 0.908317785838617 0.91 273 272.808520646563 0.191479353437046 8 0.25 1.125 4 21.0861930048769 20 0.9 34 0.5 274.1167846 70854.128182 0 0 0 0 "Unambiguous" +1054606.597965 273.134569 "C13H22O6" "O6" "CHO" 13 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.14184545216 273.13436198344 0.755143964505698 0.76 273 272.829584500184 0.170415499816272 3 0.461538461538462 1.69230769230769 -3 21.0878183412 19 0.9 28 0.8 274.1381018 63225.719904 275.140773 4838.89256 0 0 "Unambiguous" +351930.7826 273.1498132 "C17H22O3" "O3" "CHO" 17 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.15708965216 273.14961811654 0.711575470175205 0.71 273 272.844811678374 0.155188321626213 7 0.176470588235294 1.29411764705882 4 21.0889918899 20 0.9 36 0.6 274.1530455 19792.127227 0 0 0 0 "Unambiguous" +333605.542297 273.1710117 "C14H26O5" "O5" "CHO" 14 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.17828815216 273.17074748874 0.963647638854022 0.96 273 272.865986507939 0.13401349206066 2 0.357142857142857 1.85714285714286 -3 21.0906172262231 19 0.9 30 0.9 274.1743668 6807.55965 0 0 0 0 "Unambiguous" +105287.490363 273.1863129 "C18H26O2" "O2" "CHO" 18 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.19358935216 273.18600362184 1.1279554740011 1.13 273 272.881270622483 0.118729377517298 6 0.111111111111111 1.44444444444444 4 21.0917907749231 20 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +86375.522219 273.2073357 "C15H30O4" "O4" "CHO" 15 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 274.21461215216 273.20713299404 0.739223772321954 0.74 273 272.902269948236 0.0977300517635626 1 0.266666666666667 2 -3 21.0934161112461 19 0.9 32 0.9 0 0 0 0 0 0 "Unambiguous" +4065.036464 274.9838378 "C12H4O8" "O8" "CHO" 12 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 275.99111425216 274.98334065384 1.80131219567642 1.8 275 274.676788390121 0.323211609878967 11 0.666666666666667 0.333333333333333 3 21.2300474696923 20 0.9 26 0.2 0 0 0 0 0 0 "Unambiguous" +7528.005863 275.0037223 "C9H8O10" "O10" "CHO" 9 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.01099875216 275.00447002604 -2.70904436194275 2.71 275 274.696650686911 0.303349313089313 6 1.11111111111111 0.888888888888889 -4 21.2316728060154 19 0.9 20 0.4 0 0 0 0 0 0 "Unambiguous" +644048.242569 275.0200652 "C13H8O7" "O7" "CHO" 13 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.02734165216 275.01972615914 1.22828723388923 1.23 275 274.712975338283 0.287024661717453 10 0.538461538461538 0.615384615384615 3 21.2328463547154 20 0.9 28 0.3 276.0233845 24983.09187 0 0 0 0 "Unambiguous" +1420344.811244 275.0411324 "C10H12O9" "O9" "CHO" 10 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.04840885216 275.04085553134 1.00297140336603 1 275 274.734019014459 0.265980985541205 5 0.9 1.2 -4 21.2344716910385 19 0.9 22 0.5 0 0 0 0 0 0 "Unambiguous" +2902062.788605 275.0563761 "C14H12O6" "O6" "CHO" 14 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.06365255216 275.05611166444 0.957878944208356 0.96 275 274.749245693207 0.250754306792771 9 0.428571428571429 0.857142857142857 3 21.2356452397385 20 0.9 30 0.4 276.0597678 220842.992786 0 0 0 0 "Unambiguous" +12786.257908 275.0718024 "C18H12O3" "O3" "CHO" 18 12 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.07907885216 275.07136779754 1.574195559566 1.57 275 274.764654768063 0.235345231937117 13 0.166666666666667 0.666666666666667 10 21.2368187884385 21 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +1554797.985742 275.0774597 "C11H16O8" "O8" "CHO" 11 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.08473615216 275.07724103664 0.792015390245946 0.79 275 274.770305751071 0.229694248928865 4 0.727272727272727 1.45454545454545 -4 21.2372705760615 19 0.9 24 0.7 276.0808317 107420.446406 0 0 0 0 "Unambiguous" +1947439.138749 275.0927156 "C15H16O5" "O5" "CHO" 15 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.09999205216 275.09249716974 0.791127368010286 0.79 275 274.785544616197 0.214455383803113 8 0.333333333333333 1.06666666666667 3 21.2384441247615 20 0.9 32 0.5 276.0961651 168735.440137 0 0 0 0 "Unambiguous" +523507.175139 275.1137937 "C12H20O7" "O7" "CHO" 12 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.12107015216 275.11362654194 0.605379589063417 0.61 275 274.806599180202 0.193400819797887 3 0.583333333333333 1.66666666666667 -4 21.2400694610846 19 0.9 26 0.8 276.1174533 28676.664505 0 0 0 0 "Unambiguous" +765522.361408 275.1290963 "C16H20O4" "O4" "CHO" 16 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.13637275216 275.12888267504 0.773621228771769 0.77 275 274.821884693182 0.178115306817745 7 0.25 1.25 3 21.2412430097846 20 0.9 34 0.6 276.1326094 73087.727176 0 0 0 0 "Unambiguous" +77659.548542 275.1500643 "C13H24O6" "O6" "CHO" 13 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.15734075216 275.15001204724 0.189213728098737 0.19 275 274.842829280126 0.157170719873875 2 0.461538461538462 1.84615384615385 -4 21.2428683461077 19 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +248204.477417 275.1655523 "C17H24O3" "O3" "CHO" 17 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.17282875216 275.16526818034 1.02877484836832 1.03 275 274.858299986087 0.14170001391301 6 0.176470588235294 1.41176470588235 3 21.2440418948077 20 0.9 36 0.7 276.1685595 8204.61552 0 0 0 0 "Unambiguous" +2921.161768 275.1869444 "C14H28O5" "O5" "CHO" 14 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.19422085216 275.18639755254 1.97993809702529 1.98 275 274.879668199477 0.12033180052299 1 0.357142857142857 2 -4 21.2456672311308 19 0.9 30 0.9 0 0 0 0 0 0 "Unambiguous" +24930.472461 275.2017327 "C18H28O2" "O2" "CHO" 18 28 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 276.20900915216 275.20165368564 0.286067280084238 0.29 275 274.894439986729 0.105560013270917 5 0.111111111111111 1.55555555555556 3 21.2468407798308 20 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +115516.994259 276.9994165 "C12H6O8" "O8" "CHO" 12 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.00669295216 276.99899071764 1.53155435037969 1.53 277 276.690116476938 0.309883523061728 10 0.666666666666667 0.5 2 21.3850974746 20 0.9 26 0.2 278.0021915 3243.027543 0 0 0 0 "Unambiguous" +26244.587709 277.0202971 "C9H10O10" "O10" "CHO" 9 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.02757355216 277.02012008984 0.636664046344923 0.64 277 276.710973761474 0.289026238526219 5 1.11111111111111 1.11111111111111 -5 21.3867228109231 19 0.9 20 0.5 0 0 0 0 0 0 "Unambiguous" +2898897.791948 277.0357008 "C13H10O7" "O7" "CHO" 13 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.04297725216 277.03537622294 1.16736291343303 1.17 277 276.726360261565 0.273639738435293 9 0.538461538461538 0.769230769230769 2 21.3878963596231 20 0.9 28 0.4 278.0391262 227255.220576 0 0 0 0 "Unambiguous" +77107.210326 277.0510939 "C17H10O4" "O4" "CHO" 17 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.05837035216 277.05063235604 1.65988155442203 1.66 277 276.741736173492 0.258263826508198 13 0.235294117647059 0.588235294117647 9 21.3890699083231 21 1 36 0.3 0 0 0 0 0 0 "Unambiguous" +929220.901995 277.05674 "C10H14O9" "O9" "CHO" 10 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.06401645216 277.05650559514 0.842988830414494 0.84 277 276.747375969006 0.252624030993957 4 0.9 1.4 -5 21.3895216959462 19 0.9 22 0.6 278.0603308 34330.833579 0 0 0 0 "Unambiguous" +5362554.575019 277.0720044 "C14H14O6" "O6" "CHO" 14 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.07928085216 277.07176172824 0.872671129170338 0.87 277 276.762623324641 0.237376675359315 8 0.428571428571429 1 2 21.3906952446462 20 0.9 30 0.5 278.0754322 350829.94698 0 0 0 0 "Unambiguous" +46466.252348 277.0874457 "C18H14O3" "O3" "CHO" 18 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.09472215216 277.08701786134 1.53846378926309 1.54 277 276.778047382747 0.221952617252896 12 0.166666666666667 0.777777777777778 9 21.3918687933462 21 1 38 0.4 0 0 0 0 0 0 "Unambiguous" +154243.113656 277.093147 "C11H18O8" "O8" "CHO" 11 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.10042345216 277.09289110044 0.920169616470986 0.92 277 276.783742316625 0.216257683375375 3 0.727272727272727 1.63636363636364 -5 21.3923205809692 19 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +1739257.835332 277.1083754 "C15H18O5" "O5" "CHO" 15 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.11565185216 277.10814723354 0.820401363654628 0.82 277 276.798953712457 0.201046287542852 7 0.333333333333333 1.2 2 21.3934941296692 20 0.9 32 0.6 278.111822 186401.430037 0 0 0 0 "Unambiguous" +2446.509026 277.1230652 "C19H18O2" "O2" "CHO" 19 18 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.13034165216 277.12340336664 -1.21585670228274 1.22 277 276.813627109695 0.186372890304767 11 0.105263157894737 0.947368421052632 9 21.3946676783692 21 1 40 0.4 0 0 0 0 0 0 "Unambiguous" +2542.557906 277.1295951 "C12H22O7" "O7" "CHO" 12 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.13687155216 277.12927660574 1.14509902345095 1.15 277 276.820149718351 0.179850281649465 2 0.583333333333333 1.83333333333333 -5 21.3951194659923 19 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +541565.348492 277.1447136 "C16H22O4" "O4" "CHO" 16 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.15199005216 277.14453273884 0.650224217235068 0.65 277 276.835251336898 0.164748663101648 6 0.25 1.375 2 21.3962930146923 20 0.9 34 0.6 278.148279 32721.028953 0 0 0 0 "Unambiguous" +120250.195949 277.18128 "C17H26O3" "O3" "CHO" 17 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 278.18855645216 277.18091824414 1.30039806319225 1.3 277 276.871776906529 0.128223093470524 5 0.176470588235294 1.52941176470588 2 21.3990918997154 20 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +1042399.598407 279.0150063 "C12H8O8" "O8" "CHO" 12 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.02228275216 279.01464078144 1.30531954955793 1.31 279 278.703455651361 0.296544348638861 9 0.666666666666667 0.666666666666667 1 21.5401474795077 20 0.9 26 0.3 280.0182736 62768.05997 0 0 0 0 "Unambiguous" +108542.099361 279.0302785 "C16H8O5" "O5" "CHO" 16 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.03755495216 279.02989691454 1.36262245274875 1.36 279 278.718710798286 0.281289201713776 13 0.3125 0.5 8 21.5413210282077 21 1 34 0.2 0 0 0 0 0 0 "Unambiguous" +6012586.615752 279.0514647 "C13H12O7" "O7" "CHO" 13 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.05874115216 279.05102628674 1.56543323083455 1.57 279 278.739873341586 0.260126658413981 8 0.538461538461538 0.923076923076923 1 21.5429463645308 20 0.9 28 0.4 280.0547203 388025.353494 0 0 0 0 "Unambiguous" +248377.785245 279.066572 "C17H12O4" "O4" "CHO" 17 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.07384845216 279.06628241984 1.03394216071678 1.03 279 278.75496377264 0.245036227360117 12 0.235294117647059 0.705882352941177 8 21.5441199132308 21 1 36 0.3 280.0704106 9757.621076 0 0 0 0 "Unambiguous" +77746.395396 279.0720633 "C10H16O9" "O9" "CHO" 10 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.07933975216 279.07215565894 -0.329759917536629 0.33 279 278.760448941005 0.239551058994778 3 0.9 1.6 -6 21.5445717008538 19 0.9 22 0.7 0 0 0 0 0 0 "Unambiguous" +3405007.147478 279.0876529 "C14H16O6" "O6" "CHO" 14 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.09492935216 279.08741179204 0.860808014655169 0.86 279 278.776021133519 0.223978866481389 7 0.428571428571429 1.14285714285714 1 21.5457452495538 20 0.9 30 0.5 280.0911896 267134.262977 0 0 0 0 "Unambiguous" +135963.991096 279.1029932 "C18H16O3" "O3" "CHO" 18 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.11026965216 279.10266792514 1.1612386094286 1.16 279 278.791344304403 0.208655695597429 11 0.166666666666667 0.888888888888889 8 21.5469187982538 21 1 38 0.4 0 0 0 0 0 0 "Unambiguous" +1430043.490023 279.1240243 "C15H20O5" "O5" "CHO" 15 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.13130075216 279.12379729734 0.810343790121246 0.81 279 278.812351920888 0.187648079111625 6 0.333333333333333 1.33333333333333 1 21.5485441345769 20 0.9 32 0.6 280.1274402 132120.061804 0 0 0 0 "Unambiguous" +347726.7677 279.1605064 "C16H24O4" "O4" "CHO" 16 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.16778285216 279.16018280264 1.15501274511833 1.16 279 278.84879328465 0.151206715350384 5 0.25 1.5 1 21.5513430196 20 0.9 34 0.7 280.1642014 17946.435544 0 0 0 0 "Unambiguous" +59643.569555 279.1971363 "C17H28O3" "O3" "CHO" 17 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 280.20441275216 279.19656830794 2.02706322310427 2.03 279 278.885382283376 0.114617716623911 4 0.176470588235294 1.64705882352941 1 21.5541419046231 20 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +82359.8813 280.9943122 "C11H6O9" "O9" "CHO" 11 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.00158865216 280.99390533994 1.44275804269874 1.44 281 280.680551440711 0.319448559289071 9 0.818181818181818 0.545454545454545 0 21.6923985993923 20 0.9 24 0.2 0 0 0 0 0 0 "Unambiguous" +11282.640254 281.0098859 "C15H6O6" "O6" "CHO" 15 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.01716235216 281.00916147304 2.56873359749812 2.57 281 280.696107750978 0.303892249021658 13 0.4 0.4 7 21.6935721480923 21 1 32 0.2 0 0 0 0 0 0 "Unambiguous" +2673492.9357 281.0306602 "C12H10O8" "O8" "CHO" 12 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.03793665216 281.03029084524 1.30959247669533 1.31 281 280.716858854209 0.283141145790637 8 0.666666666666667 0.833333333333333 0 21.6951974844154 20 0.9 26 0.4 282.0339022 192847.788988 0 0 0 0 "Unambiguous" +648698.570563 281.0458255 "C16H10O5" "O5" "CHO" 16 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.05310195216 281.04554697834 0.987479513841489 0.99 281 280.7320072205 0.267992779500105 12 0.3125 0.625 7 21.6963710331154 21 1 34 0.3 282.0492891 46608.102116 0 0 0 0 "Unambiguous" +4043508.857253 281.0670152 "C13H14O7" "O7" "CHO" 13 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.07429165216 281.06667635054 1.2012773587097 1.2 281 280.753173259892 0.246826740108361 7 0.538461538461538 1.07692307692308 0 21.6979963694385 20 0.9 28 0.5 282.070262 274315.976535 283.0736203 2941.040265 0 0 "Unambiguous" +533577.217509 281.0822102 "C17H14O4" "O4" "CHO" 17 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.08948665216 281.08193248364 0.984497378165723 0.98 281 280.768351293019 0.231648706981105 11 0.235294117647059 0.823529411764706 7 21.6991699181385 21 1 36 0.4 282.085753 23121.218474 0 0 0 0 "Unambiguous" +2098226.528059 281.1032918 "C14H18O6" "O6" "CHO" 14 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.11056825216 281.10306185584 0.815085239274767 0.82 281 280.789409353116 0.210590646883986 6 0.428571428571429 1.28571428571429 0 21.7007952544615 20 0.9 30 0.6 282.1067765 196405.343238 0 0 0 0 "Unambiguous" +141903.159166 281.1186706 "C18H18O3" "O3" "CHO" 18 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.12594705216 281.11831798894 1.24983562729158 1.25 281 280.80477098101 0.195229018989551 10 0.166666666666667 1 7 21.7019688031615 21 1 38 0.5 282.121656 5891.85397 0 0 0 0 "Unambiguous" +1230842.336087 281.139695 "C15H22O5" "O5" "CHO" 15 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.14697145216 281.13944736114 0.877694553049621 0.88 281 280.825771904978 0.174228095022329 5 0.333333333333333 1.46666666666667 0 21.7035941394846 20 0.9 32 0.7 282.1431413 133218.830079 0 0 0 0 "Unambiguous" +26781.060431 281.1552903 "C19H22O2" "O2" "CHO" 19 22 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.16256675216 281.15470349424 2.07967260421072 2.08 281 280.841349791126 0.158650208873667 9 0.105263157894737 1.15789473684211 7 21.7047676881846 21 1 40 0.6 0 0 0 0 0 0 "Unambiguous" +320613.251993 281.1760779 "C16H26O4" "O4" "CHO" 16 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.18335435216 281.17583286644 0.868348739360257 0.87 281 280.862114179506 0.137885820493523 4 0.25 1.625 0 21.7063930245077 20 0.9 34 0.8 282.1794462 6799.100259 0 0 0 0 "Unambiguous" +46089.991988 281.2126852 "C17H30O3" "O3" "CHO" 17 30 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.21996165216 281.21221837174 1.65412913134685 1.65 281 280.898680603468 0.101319396531721 3 0.176470588235294 1.76470588235294 0 21.7091919095308 20 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +26817.39015 281.2490804 "C18H34O2" "O2" "CHO" 18 34 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.25635685216 281.24860387704 1.6882629866277 1.69 281 280.935035164263 0.0649648357371575 2 0.111111111111111 1.88888888888889 0 21.7119907945538 20 0.9 38 0.9 0 0 0 0 0 0 "Unambiguous" +2637.078244 281.2853192 "C19H38O" "O" "CHO" 19 38 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 282.29259565216 281.28498938234 1.16835391756941 1.17 281 280.971233499695 0.0287665003050392 1 0.0526315789473684 2 0 21.7147896795769 20 0.9 40 0.9 0 0 0 0 0 0 "Unambiguous" +466944.749478 283.0098298 "C11H8O9" "O9" "CHO" 11 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.01710625216 283.00955540374 0.966125820992726 0.97 283 282.693818495753 0.306181504247093 8 0.818181818181818 0.727272727272727 -1 21.8474486043 20 0.9 24 0.3 284.0131243 8045.902634 0 0 0 0 "Unambiguous" +499704.379469 283.0251189 "C15H8O6" "O6" "CHO" 15 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.03239535216 283.02481153684 1.08214121006684 1.08 283 282.709090523807 0.290909476192724 12 0.4 0.533333333333333 6 21.848622153 21 1 32 0.2 284.0286807 34458.828231 0 0 0 0 "Unambiguous" +2610680.477781 283.0462671 "C12H12O8" "O8" "CHO" 12 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.05354355216 283.04594090904 1.14834321712441 1.15 283 282.730215109538 0.269784890461722 7 0.666666666666667 1 -1 21.8502474893231 20 0.9 26 0.5 284.0495552 181914.072521 285.0522806 8751.988683 0 0 "Unambiguous" +1719647.609149 283.0614566 "C16H12O5" "O5" "CHO" 16 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.06873305216 283.06119704214 0.91371499139614 0.91 283 282.745387648807 0.254612351193146 11 0.3125 0.75 6 21.8514210380231 21 1 34 0.4 284.064943 150868.633866 0 0 0 0 "Unambiguous" +2544675.696482 283.0825985 "C13H16O7" "O7" "CHO" 13 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.08987495216 283.08232641434 0.957745009605596 0.96 283 282.766505941572 0.233494058427539 6 0.538461538461538 1.23076923076923 -1 21.8530463743462 20 0.9 28 0.6 284.085998 188659.086138 0 0 0 0 "Unambiguous" +779599.949417 283.0978366 "C17H16O4" "O4" "CHO" 17 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.10511305216 283.09758254744 0.894220302107772 0.89 283 282.781727026574 0.218272973426167 10 0.235294117647059 0.941176470588235 6 21.8542199230462 21 1 36 0.4 284.1013284 114334.636203 0 0 0 0 "Unambiguous" +2130057.877955 283.1189178 "C14H20O6" "O6" "CHO" 14 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.12619425216 283.11871191964 0.724608868046281 0.72 283 282.802784687118 0.197215312882406 5 0.428571428571429 1.42857142857143 -1 21.8558452593692 20 0.9 30 0.7 284.1223073 204989.113357 0 0 0 0 "Unambiguous" +226290.664337 283.1342589 "C18H20O3" "O3" "CHO" 18 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.14153535216 283.13396805274 1.0235999452597 1.02 283 282.818108657108 0.181891342891674 9 0.166666666666667 1.11111111111111 6 21.8570188080692 21 1 38 0.5 284.1370879 2138.066524 0 0 0 0 "Unambiguous" +941299.583918 283.155336 "C15H24O5" "O5" "CHO" 15 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.16261245216 283.15509742494 0.839572306633927 0.84 283 282.83916222223 0.160837777769871 4 0.333333333333333 1.6 -1 21.8586441443923 20 0.9 32 0.8 284.1587982 93152.529151 0 0 0 0 "Unambiguous" +84469.86206 283.1705616 "C19H24O2" "O2" "CHO" 19 24 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.17783805216 283.17035355804 0.732083688880304 0.73 283 282.854370821189 0.14562917881085 8 0.105263157894737 1.26315789473684 6 21.8598176930923 21 1 40 0.6 284.1737314 2512.667565 0 0 0 0 "Unambiguous" +389215.171091 283.1917325 "C16H28O4" "O4" "CHO" 16 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.19900895216 283.19148293024 0.878151408484093 0.88 283 282.875518081573 0.124481918426909 3 0.25 1.75 -1 21.8614430294154 20 0.9 34 0.8 284.195315 43304.766397 0 0 0 0 "Unambiguous" +135267.007753 283.2281938 "C17H32O3" "O3" "CHO" 17 32 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.23547025216 283.22786843554 1.14470041243026 1.14 283 282.91193866856 0.0880613314402581 2 0.176470588235294 1.88235294117647 -1 21.8642419144385 20 0.9 36 0.9 284.2314715 2822.447086 0 0 0 0 "Unambiguous" +768918.571115 283.2644778 "C18H36O2" "O2" "CHO" 18 36 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 284.27175425216 283.26425394084 0.787482951372452 0.79 283 282.948182153521 0.0518178464787411 1 0.111111111111111 2 -1 21.8670407994615 20 0.9 38 0.9 284.2678926 97945.738366 0 0 0 0 "Unambiguous" +5697.075533 284.989268 "C10H6O10" "O10" "CHO" 10 6 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 285.99654445216 284.98881996224 1.56658452243589 1.57 285 284.671046437375 0.32895356262469 8 1 0.6 -2 21.9996997241846 20 0.9 22 0.3 0 0 0 0 0 0 "Unambiguous" +56525.909319 285.0041886 "C14H6O7" "O7" "CHO" 14 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.01146505216 285.00407609534 0.393357168402821 0.39 285 284.6859503769 0.314049623099891 12 0.5 0.428571428571429 5 22.0008732728846 21 1 30 0.2 0 0 0 0 0 0 "Unambiguous" +683911.240178 285.0255366 "C11H10O9" "O9" "CHO" 11 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.03281305216 285.02520546754 1.15767298333933 1.16 285 284.707274539533 0.292725460467409 7 0.818181818181818 0.909090909090909 -2 22.0024986092077 20 0.9 24 0.4 286.0289092 29337.222025 0 0 0 0 "Unambiguous" +1764366.972941 285.0407713 "C15H10O6" "O6" "CHO" 15 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.04804775216 285.04046160064 1.08268300530686 1.08 285 284.72249222833 0.277507771669548 11 0.4 0.666666666666667 5 22.0036721579077 21 1 32 0.3 286.0440788 153596.801053 0 0 0 0 "Unambiguous" +2938467.062393 285.0618466 "C12H14O8" "O8" "CHO" 12 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.06912305216 285.06159097284 0.893585289066597 0.89 285 284.743543995462 0.256456004537768 6 0.666666666666667 1.16666666666667 -2 22.0052974942308 20 0.9 26 0.5 286.0653327 195506.821672 287.0677286 27776.684473 0 0 "Unambiguous" +1459113.878032 285.0770755 "C16H14O5" "O5" "CHO" 16 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.08435195216 285.07684710594 0.798345167933178 0.8 285 284.758755890736 0.241244109263619 10 0.3125 0.875 5 22.0064710429308 21 1 34 0.4 286.0805155 125074.986796 0 0 0 0 "Unambiguous" +2494747.363977 285.0982052 "C13H18O7" "O7" "CHO" 13 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.10548165216 285.09797647814 0.79943193924521 0.8 285 284.779861997125 0.220138002875387 5 0.538461538461538 1.38461538461538 -2 22.0080963792538 20 0.9 28 0.6 286.1016647 189056.2967 287.1047858 2481.20859 0 0 "Unambiguous" +567081.521684 285.1134334 "C17H18O4" "O4" "CHO" 17 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.12070985216 285.11323261124 0.701762413945725 0.7 285 284.79507319318 0.204926806819515 9 0.235294117647059 1.05882352941176 5 22.0092699279538 21 1 36 0.5 286.1170317 72432.987786 0 0 0 0 "Unambiguous" +2004151.076239 285.1345528 "C14H22O6" "O6" "CHO" 14 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.14182925216 285.13436198344 0.666860069028647 0.67 285 284.81616901107 0.183830988930254 4 0.428571428571429 1.57142857142857 -2 22.0108952642769 20 0.9 30 0.7 286.1380116 148506.649147 0 0 0 0 "Unambiguous" +302821.696402 285.1497935 "C18H22O3" "O3" "CHO" 18 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.15706995216 285.14961811654 0.61289228326487 0.61 285 284.831392693168 0.16860730683203 8 0.166666666666667 1.22222222222222 5 22.0120688129769 21 1 38 0.6 286.1530992 36823.442511 0 0 0 0 "Unambiguous" +804213.682595 285.1709949 "C15H26O5" "O5" "CHO" 15 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.17827135216 285.17074748874 0.864535447810487 0.86 285 284.852570419495 0.147429580504706 3 0.333333333333333 1.73333333333333 -2 22.0136941493 20 0.9 32 0.8 286.1745162 71906.677626 0 0 0 0 "Unambiguous" +67322.264309 285.1862059 "C19H26O2" "O2" "CHO" 19 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.19348235216 285.18600362184 0.70678814335404 0.71 285 284.867764434757 0.13223556524315 7 0.105263157894737 1.36842105263158 5 22.014867698 21 1 40 0.7 0 0 0 0 0 0 "Unambiguous" +849477.606972 285.2073282 "C16H30O4" "O4" "CHO" 16 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.21460465216 285.20713299404 0.682026552338561 0.68 285 284.888863149408 0.111136850592004 2 0.25 1.875 -2 22.0164930343231 20 0.9 34 0.9 286.2108374 105094.612188 0 0 0 0 "Unambiguous" +132534.277603 285.2438322 "C17H34O3" "O3" "CHO" 17 34 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 286.25110865216 285.24351849934 1.09589325777094 1.1 285 284.925326388715 0.0746736112845383 1 0.176470588235294 2 -2 22.0192919193462 20 0.9 36 0.9 286.2470321 2360.958597 0 0 0 0 "Unambiguous" +17728.246481 287.0046359 "C10H8O10" "O10" "CHO" 10 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.01191235216 287.00447002604 0.575927428249254 0.58 287 286.684163959574 0.315836040426291 7 1 0.8 -3 22.1547497290923 20 0.9 22 0.4 0 0 0 0 0 0 "Unambiguous" +574284.064622 287.020055 "C14H8O7" "O7" "CHO" 14 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.02733145216 287.01972615914 1.14170019329388 1.14 287 286.699565842469 0.300434157531072 11 0.5 0.571428571428571 4 22.1559232777923 21 0.9 30 0.3 288.0237685 37164.798571 0 0 0 0 "Unambiguous" +1414682.644887 287.0411558 "C11H12O9" "O9" "CHO" 11 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.04843225216 287.04085553134 1.04242421216312 1.04 287 286.720643081127 0.27935691887285 6 0.818181818181818 1.09090909090909 -3 22.1575486141154 20 0.9 24 0.5 0 0 0 0 0 0 "Unambiguous" +2105511.055858 287.0564055 "C15H12O6" "O6" "CHO" 15 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.06368195216 287.05611166444 1.02003681272685 1.02 287 286.735875753176 0.26412424682411 10 0.4 0.8 4 22.1587221628154 21 0.9 32 0.4 288.0597514 176008.383867 0 0 0 0 "Unambiguous" +2288429.479157 287.0774781 "C12H16O8" "O8" "CHO" 12 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.08475455216 287.07724103664 0.822894499921308 0.82 287 286.756924823322 0.243075176677507 5 0.666666666666667 1.33333333333333 -3 22.1603474991385 20 0.9 26 0.6 288.0810034 167803.688203 0 0 0 0 "Unambiguous" +1356586.63858 287.0927146 "C16H16O5" "O5" "CHO" 16 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.09999105216 287.09249716974 0.754704154027709 0.75 287 286.77214431011 0.227855689889509 9 0.3125 1 4 22.1615210478385 21 0.9 34 0.5 288.09611 145469.612751 0 0 0 0 "Unambiguous" +1638937.787063 287.11386 "C13H20O7" "O7" "CHO" 13 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.12113645216 287.11362654194 0.810277450900368 0.81 287 286.793266098968 0.206733901032067 4 0.538461538461538 1.53846153846154 -3 22.1631463841615 20 0.9 28 0.7 288.1171676 135489.653283 0 0 0 0 "Unambiguous" +934589.037429 287.1291066 "C17H20O4" "O4" "CHO" 17 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.13638305216 287.12888267504 0.777149201397217 0.78 287 286.808495674478 0.191504325521862 8 0.235294117647059 1.17647058823529 4 22.1643199328615 21 0.9 36 0.6 288.1326147 106295.840293 0 0 0 0 "Unambiguous" +1018350.126862 287.15021 "C14H24O6" "O6" "CHO" 14 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.15748645216 287.15001204724 0.686960323125568 0.69 287 286.829575510233 0.170424489766788 3 0.428571428571429 1.71428571428571 -3 22.1659452691846 20 0.9 30 0.8 288.1538257 114536.849017 0 0 0 0 "Unambiguous" +356830.483995 287.1655287 "C18H24O3" "O3" "CHO" 18 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.17280515216 287.16526818034 0.9040397127876 0.9 287 286.844877105236 0.155122894764077 7 0.166666666666667 1.33333333333333 4 22.1671188178846 21 0.9 38 0.6 288.1689661 23658.209472 0 0 0 0 "Unambiguous" +301888.157653 287.1866369 "C15H28O5" "O5" "CHO" 15 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.19391335216 287.18639755254 0.830508379722414 0.83 287 286.865961735631 0.134038264368769 2 0.333333333333333 1.86666666666667 -3 22.1687441542077 20 0.9 32 0.9 288.1901941 20474.464646 0 0 0 0 "Unambiguous" +16683.351164 287.2014893 "C19H28O2" "O2" "CHO" 19 28 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.20876575216 287.20165368564 -0.570370021800288 0.57 287 286.880797551309 0.119202448691283 6 0.105263157894737 1.47368421052632 4 22.1699177029077 21 0.9 40 0.7 0 0 0 0 0 0 "Unambiguous" +195274.90531 287.2229971 "C16H32O4" "O4" "CHO" 16 32 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 288.23027355216 287.22278305784 0.742608183929586 0.74 287 286.902281335507 0.0977186644929589 1 0.25 2 -3 22.1715430392308 20 0.9 34 0.9 288.2262038 9480.941205 0 0 0 0 "Unambiguous" +170752.141008 288.9993022 "C13H6O8" "O8" "CHO" 13 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.00657865216 288.99899071764 1.07405273861785 1.07 289 288.676602997364 0.323397002636341 11 0.615384615384615 0.461538461538462 3 22.3081743976769 21 0.9 28 0.2 0 0 0 0 0 0 "Unambiguous" +120730.181537 289.0205858 "C10H10O10" "O10" "CHO" 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.02786225216 289.02012008984 1.60574282882854 1.61 289 288.697862831906 0.302137168094248 6 1 1 -4 22.309799734 20 0.9 22 0.5 0 0 0 0 0 0 "Unambiguous" +1329070.147672 289.0357047 "C14H10O7" "O7" "CHO" 14 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.04298115216 289.03537622294 1.13251166673333 1.13 289 288.712964850007 0.287035149993073 10 0.5 0.714285714285714 3 22.3109732827 21 0.9 30 0.3 290.0389111 127697.384337 0 0 0 0 "Unambiguous" +27897.506245 289.0512153 "C18H10O4" "O4" "CHO" 18 10 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.05849175216 289.05063235604 2.00974622908166 2.01 289 288.728458130732 0.271541869267537 14 0.222222222222222 0.555555555555556 10 22.3121468314 22 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +2026925.475791 289.0567573 "C11H14O9" "O9" "CHO" 11 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.06403375216 289.05650559514 0.86775618741123 0.87 289 288.733993942486 0.266006057514289 5 0.818181818181818 1.27272727272727 -4 22.3125986190231 20 0.9 24 0.6 290.06013 120631.884787 0 0 0 0 "Unambiguous" +2747755.064918 289.0719871 "C15H14O6" "O6" "CHO" 15 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.07926355216 289.07176172824 0.77693164701196 0.78 289 288.749206736755 0.250793263245043 9 0.4 0.933333333333333 3 22.3137721677231 21 0.9 32 0.4 290.0754179 227151.087777 0 0 0 0 "Unambiguous" +14279.457486 289.0873476 "C19H14O3" "O3" "CHO" 19 14 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.09462405216 289.08701786134 1.13665898184503 1.14 289 288.764550085083 0.235449914916558 13 0.157894736842105 0.736842105263158 10 22.3149457164231 22 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +1191787.845555 289.0931153 "C12H18O8" "O8" "CHO" 12 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.10039175216 289.09289110044 0.772834392497106 0.77 289 288.770311344818 0.22968865518186 4 0.666666666666667 1.5 -4 22.3153975040462 20 0.9 26 0.7 290.0964805 62705.377745 0 0 0 0 "Unambiguous" +1417924.740234 289.1083567 "C16H18O5" "O5" "CHO" 16 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.11563315216 289.10814723354 0.722010247290207 0.72 289 288.785535726135 0.214464273865303 8 0.3125 1.125 3 22.3165710527462 21 0.9 34 0.5 290.1118743 156432.408277 0 0 0 0 "Unambiguous" +533900.736809 289.1294896 "C13H22O7" "O7" "CHO" 13 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.13676605216 289.12927660574 0.734116750801354 0.73 289 288.80664502895 0.193354971050212 3 0.538461538461538 1.69230769230769 -4 22.3181963890692 20 0.9 28 0.8 290.1331654 18182.482031 0 0 0 0 "Unambiguous" +689941.758397 289.1447532 "C17H22O4" "O4" "CHO" 17 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.15202965216 289.14453273884 0.759812572411708 0.76 289 288.821891585478 0.178108414522342 7 0.235294117647059 1.29411764705882 3 22.3193699377692 21 0.9 36 0.6 290.1481907 56531.387845 0 0 0 0 "Unambiguous" +84364.359172 289.1660026 "C14H26O6" "O6" "CHO" 14 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.17327905216 289.16566211104 1.17339874004555 1.17 289 288.843117258208 0.156882741792231 2 0.428571428571429 1.85714285714286 -4 22.3209952740923 20 0.9 30 0.9 0 0 0 0 0 0 "Unambiguous" +250371.930225 289.1811447 "C18H26O3" "O3" "CHO" 18 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.18842115216 289.18091824414 0.780375244135135 0.78 289 288.858242450404 0.141757549596377 6 0.166666666666667 1.44444444444444 3 22.3221688227923 21 0.9 38 0.7 290.1846029 16599.194893 0 0 0 0 "Unambiguous" +16244.692915 289.2022734 "C15H30O5" "O5" "CHO" 15 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.20954985216 289.20204761634 0.778002171682222 0.78 289 288.879347557908 0.120652442091512 1 0.333333333333333 2 -4 22.3237941591154 20 0.9 32 0.9 0 0 0 0 0 0 "Unambiguous" +2470.389611 289.2171008 "C19H30O2" "O2" "CHO" 19 30 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 290.22437725216 289.21730374944 -0.6992846083999 0.7 289 288.894158401501 0.105841598498785 5 0.105263157894737 1.57894736842105 3 22.3249677078154 21 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +440200.446437 291.0149755 "C13H8O8" "O8" "CHO" 13 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.02225195216 291.01464078144 1.14620909112302 1.15 291 290.69002557855 0.309974421450306 10 0.615384615384615 0.615384615384615 2 22.4632244025846 21 0.9 28 0.3 292.0182147 23721.798373 0 0 0 0 "Unambiguous" +283670.928672 291.0360619 "C10H12O10" "O10" "CHO" 10 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.04333835216 291.03577015364 0.998983101795036 1 291 290.711088433287 0.288911566712954 5 1 1.2 -5 22.4648497389077 20 0.9 22 0.5 0 0 0 0 0 0 "Unambiguous" +3871169.530934 291.051304 "C14H12O7" "O7" "CHO" 14 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.05858045216 291.05102628674 0.950882044193067 0.95 291 290.726313513822 0.273686486177951 9 0.5 0.857142857142857 2 22.4660232876077 21 0.9 30 0.4 292.0546217 284331.477873 0 0 0 0 "Unambiguous" +80007.525162 291.0666718 "C18H12O4" "O4" "CHO" 18 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.07394825216 291.06628241984 1.33315608032077 1.33 291 290.741664153999 0.258335846000762 13 0.222222222222222 0.666666666666667 9 22.4671968363077 22 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +791523.821265 291.0723848 "C11H16O9" "O9" "CHO" 11 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.07966125216 291.07215565894 0.784515631870338 0.78 291 290.747370774812 0.252629225187547 4 0.818181818181818 1.45454545454545 -5 22.4676486239308 20 0.9 24 0.7 292.0758903 50819.060784 0 0 0 0 "Unambiguous" +3377531.330025 291.0876378 "C15H16O6" "O6" "CHO" 15 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.09491425216 291.08741179204 0.773748357063305 0.77 291 290.762606743176 0.23739325682368 8 0.4 1.06666666666667 2 22.4688221726308 21 0.9 32 0.5 292.0910831 313192.209886 0 0 0 0 "Unambiguous" +19079.288074 291.1031522 "C19H16O3" "O3" "CHO" 19 16 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.11042865216 291.10266792514 1.65784858229309 1.66 291 290.778103819659 0.221896180341275 12 0.157894736842105 0.842105263157895 9 22.4699957213308 22 1 40 0.4 0 0 0 0 0 0 "Unambiguous" +157983.749424 291.1089162 "C12H20O8" "O8" "CHO" 12 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.11619265216 291.10854116424 1.28385816815558 1.28 291 290.783861383525 0.216138616475178 3 0.666666666666667 1.66666666666667 -5 22.4704475089538 20 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +1283187.322254 291.1240074 "C16H20O5" "O5" "CHO" 16 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.13128385216 291.12379729734 0.719206300746584 0.72 291 290.798935732556 0.20106426744394 7 0.3125 1.25 2 22.4716210576538 21 0.9 34 0.6 292.1274468 156275.08844 293.1307959 2848.595682 0 0 "Unambiguous" +2395.294401 291.1442707 "C13H24O7" "O7" "CHO" 13 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.15154715216 291.14492666954 -2.24530572021865 2.25 291 290.819176406374 0.180823593625746 2 0.538461538461538 1.84615384615385 -5 22.4732463939769 20 0.9 28 0.9 0 0 0 0 0 0 "Unambiguous" +495091.405279 291.1603895 "C17H24O4" "O4" "CHO" 17 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.16766595216 291.16018280264 0.70746144795262 0.71 291 290.835277207978 0.164722792021792 6 0.235294117647059 1.41176470588235 2 22.4744199426769 21 0.9 36 0.7 292.1638105 41965.271599 0 0 0 0 "Unambiguous" +102990.779995 291.1969111 "C18H28O3" "O3" "CHO" 18 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.20418755216 291.19656830794 1.17312507710641 1.17 291 290.871758027633 0.128241972366595 5 0.166666666666667 1.55555555555556 2 22.4772188277 21 0.9 38 0.7 292.2002777 4544.760861 0 0 0 0 "Unambiguous" +3458.897414 291.2329954 "C19H32O2" "O2" "CHO" 19 32 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 292.24027185216 291.23295381324 0.142303316862735 0.14 291 290.907802035582 0.0921979644183466 4 0.105263157894737 1.68421052631579 2 22.4800177127231 21 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +50693.94284 292.9943858 "C12H6O9" "O9" "CHO" 12 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.00166225216 292.99390533994 1.63420865158322 1.63 293 292.667225651325 0.332774348674548 10 0.75 0.5 1 22.6154755224692 21 0.9 26 0.2 293.9975161 2514.901549 0 0 0 0 "Unambiguous" +1983731.399431 293.0306191 "C13H10O8" "O8" "CHO" 13 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.03789555216 293.03029084524 1.11636889316636 1.12 293 292.703418492899 0.296581507100996 9 0.615384615384615 0.769230769230769 1 22.6182744074923 21 0.9 28 0.4 294.0340359 165450.361178 0 0 0 0 "Unambiguous" +180293.922531 293.0460266 "C17H10O5" "O5" "CHO" 17 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.05330305216 293.04554697834 1.63107047273917 1.63 293 292.718808788747 0.281191211253145 13 0.294117647058824 0.588235294117647 8 22.6194479561923 22 1 36 0.3 0 0 0 0 0 0 "Unambiguous" +138210.620275 293.0518069 "C10H14O10" "O10" "CHO" 10 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.05908335216 293.05142021744 1.31498253892314 1.31 293 292.724582634412 0.275417365587771 4 1 1.4 -6 22.6198997438154 20 0.9 22 0.6 0 0 0 0 0 0 "Unambiguous" +5410683.776051 293.0669171 "C14H14O7" "O7" "CHO" 14 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.07419355216 293.06667635054 0.818669115862705 0.82 293 292.739675962228 0.260324037772079 8 0.5 1 1 22.6210732925154 21 0.9 30 0.5 294.0702987 370675.1448 0 0 0 0 "Unambiguous" +198415.744333 293.0821665 "C18H14O4" "O4" "CHO" 18 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.08944295216 293.08193248364 0.795731929973589 0.8 293 292.754908334612 0.245091665388316 12 0.222222222222222 0.777777777777778 8 22.6222468412154 22 1 38 0.4 0 0 0 0 0 0 "Unambiguous" +40556.499395 293.0875735 "C11H18O9" "O9" "CHO" 11 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.09484995216 293.08780572274 -0.789618519300606 0.79 293 292.760309297107 0.239690702892858 3 0.818181818181818 1.63636363636364 -6 22.6226986288385 20 0.9 24 0.8 0 0 0 0 0 0 "Unambiguous" +2261867.121229 293.1032916 "C15H18O6" "O6" "CHO" 15 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.11056805216 293.10306185584 0.781148945113859 0.78 293 292.776009846136 0.223990153863781 7 0.4 1.2 1 22.6238721775385 21 0.9 32 0.6 294.1065982 188945.314785 0 0 0 0 "Unambiguous" +31159.273839 293.1187675 "C19H18O3" "O3" "CHO" 19 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.12604395216 293.11831798894 1.52829397215539 1.53 293 292.791468465608 0.208531534391909 11 0.157894736842105 0.947368421052632 8 22.6250457262385 22 1 40 0.4 0 0 0 0 0 0 "Unambiguous" +1004124.929069 293.1396727 "C16H22O5" "O5" "CHO" 16 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.14694915216 293.13944736114 0.766075802045907 0.77 293 292.812350322675 0.187649677324998 6 0.3125 1.375 1 22.6266710625615 21 0.9 34 0.6 294.1428255 123488.939864 0 0 0 0 "Unambiguous" +259720.491184 293.1761045 "C17H26O4" "O4" "CHO" 17 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.18338095216 293.17583286644 0.923347740288369 0.92 293 292.848741442602 0.151258557398364 5 0.235294117647059 1.52941176470588 1 22.6294699475846 21 0.9 36 0.7 294.1797295 25648.815321 0 0 0 0 "Unambiguous" +58197.552085 293.2124435 "C18H30O3" "O3" "CHO" 18 30 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.21971995216 293.21221837174 0.765170533264589 0.77 293 292.88503986615 0.114960133850389 4 0.166666666666667 1.66666666666667 1 22.6322688326077 21 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +2241.411474 293.2490376 "C19H34O2" "O2" "CHO" 19 34 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 294.25631405216 293.24860387704 1.47396313786491 1.47 293 292.921593104851 0.078406895149385 3 0.105263157894737 1.78947368421053 1 22.6350677176308 21 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +474015.056117 295.0098676 "C12H8O9" "O9" "CHO" 12 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.01714405216 295.00955540374 1.05465600981697 1.05 295 294.680456946342 0.319543053657867 9 0.75 0.666666666666667 0 22.7705255273769 21 0.9 26 0.3 296.0135908 9398.741228 0 0 0 0 "Unambiguous" +122902.385745 295.0251671 "C16H8O6" "O6" "CHO" 16 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.03244355216 295.02481153684 1.20109524388176 1.2 295 294.695739362784 0.304260637216316 13 0.375 0.5 7 22.7716990760769 22 1 34 0.2 296.0286826 3395.774082 0 0 0 0 "Unambiguous" +3247367.53515 295.0462807 "C13H12O8" "O8" "CHO" 13 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.05355715216 295.04594090904 1.14773476561214 1.15 295 294.716829387149 0.283170612850654 8 0.615384615384615 0.923076923076923 0 22.7733244124 21 0.9 28 0.4 296.0496037 266842.379858 0 0 0 0 "Unambiguous" +603908.780665 295.0614507 "C17H12O5" "O5" "CHO" 17 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.06872715216 295.06119704214 0.856753303377214 0.86 295 294.731982448192 0.268017551808157 12 0.294117647058824 0.705882352941177 7 22.7744979611 22 1 36 0.3 296.0646135 22631.013551 0 0 0 0 "Unambiguous" +2853345.415381 295.0826103 "C14H16O7" "O7" "CHO" 14 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.08988675216 295.08232641434 0.958782020927686 0.96 295 294.753118421193 0.246881578806551 7 0.5 1.14285714285714 0 22.7761232974231 21 0.9 30 0.5 296.0860402 244731.717183 0 0 0 0 "Unambiguous" +405771.220811 295.0978634 "C18H16O4" "O4" "CHO" 18 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.10513985216 295.09758254744 0.948489310805745 0.95 295 294.768354489446 0.231645510554301 11 0.222222222222222 0.888888888888889 7 22.7772968461231 22 1 38 0.4 296.1011015 26609.371547 0 0 0 0 "Unambiguous" +1925665.982191 295.1189293 "C15H20O6" "O6" "CHO" 15 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.12620575216 295.11871191964 0.734080117692302 0.73 295 294.789396867074 0.210603132926451 6 0.4 1.33333333333333 0 22.7789221824462 21 0.9 32 0.6 296.1224316 188688.506578 0 0 0 0 "Unambiguous" +49842.158381 295.1339756 "C19H20O3" "O3" "CHO" 19 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.14125205216 295.13396805274 0.0254853383144332 0.03 295 294.804426366241 0.195573633759409 10 0.157894736842105 1.05263157894737 7 22.7800957311462 22 1 40 0.5 0 0 0 0 0 0 "Unambiguous" +727080.577289 295.1553172 "C16H24O5" "O5" "CHO" 16 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.16259365216 295.15509742494 0.742075686606807 0.74 295 294.825744136019 0.174255863980648 5 0.3125 1.5 0 22.7817210674692 21 0.9 34 0.7 296.1584788 46412.188644 0 0 0 0 "Unambiguous" +204296.029594 295.1918047 "C17H28O4" "O4" "CHO" 17 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.19908115216 295.19148293024 1.08632936579807 1.09 295 294.862190893751 0.137809106249108 4 0.235294117647059 1.64705882352941 0 22.7845199524923 21 0.9 36 0.8 296.1951995 4604.216164 0 0 0 0 "Unambiguous" +33384.385971 295.2279223 "C18H32O3" "O3" "CHO" 18 32 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.23519875216 295.22786843554 0.181830046716942 0.18 295 294.898268164516 0.101731835483918 3 0.166666666666667 1.77777777777778 0 22.7873188375154 21 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +23291.260898 295.3011053 "C20H40O" "O" "CHO" 20 40 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 296.30838175216 295.30063944614 1.57219265032713 1.57 295 294.971369447724 0.0286305522755015 1 0.05 2 0 22.7929166075615 21 0.9 42 1 0 0 0 0 0 0 "Unambiguous" +3608.973739 296.9893052 "C11H6O10" "O10" "CHO" 11 6 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 297.99658165216 296.98881996224 1.62833330948641 1.63 297 296.657684288634 0.342315711365529 9 0.909090909090909 0.545454545454545 -1 22.9227766472615 21 0.9 24 0.2 0 0 0 0 0 0 "Unambiguous" +12978.55595 297.0046885 "C15H6O7" "O7" "CHO" 15 6 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.01196495216 297.00407609534 2.05496668594384 2.05 297 296.673050411504 0.326949588495722 13 0.466666666666667 0.4 6 22.9239501959615 22 1 32 0.2 0 0 0 0 0 0 "Unambiguous" +841618.640965 297.0255249 "C12H10O9" "O9" "CHO" 12 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.03280135216 297.02520546754 1.07180303159199 1.07 297 296.693863545394 0.306136454606133 8 0.75 0.833333333333333 -1 22.9255755322846 21 0.9 26 0.4 298.028841 30444.048525 299.0319125 2184.925551 0 0 "Unambiguous" +1161271.010237 297.0407629 "C16H10O6" "O6" "CHO" 16 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.04803935216 297.04046160064 1.01090871338888 1.01 297 296.709084530507 0.290915469493029 12 0.375 0.625 6 22.9267490809846 22 1 34 0.3 298.0442139 116543.06165 0 0 0 0 "Unambiguous" +2495328.054646 297.0618838 "C13H14O8" "O8" "CHO" 13 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.06916025216 297.06159097284 0.982413476521425 0.98 297 296.730181846721 0.26981815327872 7 0.615384615384615 1.07692307692308 -1 22.9283744173077 21 0.9 28 0.5 298.0652555 178386.181251 0 0 0 0 "Unambiguous" +1449170.595939 297.0770789 "C17H14O5" "O5" "CHO" 17 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.08435535216 297.07684710594 0.777612296203803 0.78 297 296.745359979737 0.254640020263082 11 0.294117647058824 0.823529411764706 6 22.9295479660077 22 1 36 0.4 0 0 0 0 0 0 "Unambiguous" +1968725.21439 297.0982252 "C14H18O7" "O7" "CHO" 14 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.10550165216 297.09797647814 0.834341730205425 0.83 297 296.766482667589 0.233517332410543 6 0.5 1.28571428571429 -1 22.9311733023308 21 0.9 30 0.6 298.1016344 179103.499355 0 0 0 0 "Unambiguous" +842864.211053 297.1134444 "C18H18O4" "O4" "CHO" 18 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.12072085216 297.11323261124 0.710412746194088 0.71 297 296.781684873695 0.218315126305242 10 0.222222222222222 1 6 22.9323468510308 22 1 38 0.5 298.1169352 128474.258077 0 0 0 0 "Unambiguous" +1874686.268887 297.1345913 "C15H22O6" "O6" "CHO" 15 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.14186775216 297.13436198344 0.769152490230554 0.77 297 296.802808160877 0.197191839122695 5 0.4 1.46666666666667 -1 22.9339721873538 21 0.9 32 0.7 298.1379873 178294.438771 299.140719 2233.749926 0 0 "Unambiguous" +19612.097088 297.1493441 "C19H22O3" "O3" "CHO" 19 22 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.15662055216 297.14961811654 -0.919035570958263 0.92 297 296.817544487769 0.182455512231002 9 0.157894736842105 1.15789473684211 6 22.9351457360538 22 1 40 0.6 0 0 0 0 0 0 "Unambiguous" +590037.685142 297.1710026 "C16H26O5" "O5" "CHO" 16 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.17827905216 297.17074748874 0.855566209631515 0.86 297 296.839178803694 0.160821196305562 4 0.3125 1.625 -1 22.9367710723769 21 0.9 34 0.8 298.1745972 67469.632116 0 0 0 0 "Unambiguous" +14204.873637 297.1863234 "C20H26O2" "O2" "CHO" 20 26 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.19359985216 297.18600362184 1.0723843842422 1.07 297 296.854482496352 0.145517503647739 8 0.1 1.3 6 22.9379446210769 22 1 42 0.6 0 0 0 0 0 0 "Unambiguous" +159614.945645 297.2073902 "C17H30O4" "O4" "CHO" 17 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.21466665216 297.20713299404 0.862485949941085 0.86 297 296.875525772975 0.124474227024791 3 0.235294117647059 1.76470588235294 -1 22.9395699574 21 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +140648.495885 297.243804 "C18H34O3" "O3" "CHO" 18 34 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.25108045216 297.24351849934 0.957249373897499 0.96 297 296.911898913001 0.0881010869991883 2 0.166666666666667 1.88888888888889 -1 22.9423688424231 21 0.9 38 0.9 298.2470323 7770.774755 0 0 0 0 "Unambiguous" +103108.814489 297.2802098 "C19H38O2" "O2" "CHO" 19 38 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 298.28748625216 297.27990400464 1.02516992537194 1.03 297 296.948264061959 0.0517359380406788 1 0.105263157894737 2 -1 22.9451677274462 21 0.9 40 0.9 298.2833612 7872.294809 0 0 0 0 "Unambiguous" +114026.519138 299.0048151 "C11H8O10" "O10" "CHO" 11 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.01209155216 299.00447002604 1.1502001742389 1.15 299 298.670943652274 0.329056347725611 8 0.909090909090909 0.727272727272727 -2 23.0778266521692 21 0.9 24 0.3 0 0 0 0 0 0 "Unambiguous" +436704.94088 299.0200586 "C15H8O7" "O7" "CHO" 15 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.02733505216 299.01972615914 1.10803523935146 1.11 299 298.686170131246 0.313829868753828 12 0.466666666666667 0.533333333333333 5 23.0790002008692 22 1 32 0.2 300.0233964 14755.965587 0 0 0 0 "Unambiguous" +1198986.350096 299.041158 "C12H12O9" "O9" "CHO" 12 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.04843445216 299.04085553134 1.0080661163609 1.01 299 298.707245971468 0.292754028532386 7 0.75 1 -2 23.0806255371923 21 0.9 26 0.5 300.044536 112762.84298 301.0471337 9711.109515 0 0 "Unambiguous" +2120758.482981 299.0563868 "C16H12O6" "O6" "CHO" 16 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.06366325216 299.05611166444 0.916923952139351 0.92 299 298.722457766853 0.277542233146562 11 0.375 0.75 5 23.0817990858923 22 1 34 0.4 300.0597823 204527.34087 0 0 0 0 "Unambiguous" +2134467.919246 299.0774737 "C13H16O8" "O8" "CHO" 13 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.08475015216 299.07724103664 0.775325503515863 0.78 299 298.743521121033 0.256478878967471 6 0.615384615384615 1.23076923076923 -2 23.0834244222154 21 0.9 28 0.6 300.0810984 153847.008495 0 0 0 0 "Unambiguous" +1076653.945734 299.0926935 "C17H16O5" "O5" "CHO" 17 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.09996995216 299.09249716974 0.654216193448471 0.65 299 298.758723926468 0.241276073532106 10 0.294117647058824 0.941176470588235 5 23.0845979709154 22 1 36 0.4 300.0960426 141897.421846 0 0 0 0 "Unambiguous" +1965780.07823 299.1138169 "C14H20O7" "O7" "CHO" 14 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.12109335216 299.11362654194 0.634270846803975 0.63 299 298.779823739891 0.220176260109213 5 0.5 1.42857142857143 -2 23.0862233072385 21 0.9 30 0.7 300.1172581 180045.171088 0 0 0 0 "Unambiguous" +418694.762566 299.12916 "C18H20O4" "O4" "CHO" 18 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.13643645216 299.12888267504 0.923996310723319 0.92 299 298.795149707648 0.20485029235175 9 0.222222222222222 1.11111111111111 5 23.0873968559385 22 1 38 0.5 300.1326894 35713.425723 0 0 0 0 "Unambiguous" +1339266.796303 299.1501548 "C15H24O6" "O6" "CHO" 15 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.15743125216 299.15001204724 0.475592955966188 0.48 299 298.816121064667 0.183878935333041 4 0.4 1.6 -2 23.0890221922615 21 0.9 32 0.8 300.1537287 134282.244683 0 0 0 0 "Unambiguous" +267868.992668 299.1655067 "C19H24O3" "O3" "CHO" 19 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.17278315216 299.16526818034 0.79460788382253 0.79 299 298.831455822598 0.168544177401714 8 0.157894736842105 1.26315789473684 5 23.0901957409615 22 1 40 0.6 300.1684943 4674.00661 0 0 0 0 "Unambiguous" +699083.60124 299.1866185 "C16H28O5" "O5" "CHO" 16 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.19389495216 299.18639755254 0.736015834271129 0.74 299 298.852544048974 0.147455951026188 3 0.3125 1.75 -2 23.0918210772846 21 0.9 34 0.8 300.1900658 68875.813957 0 0 0 0 "Unambiguous" +244053.640771 299.2020131 "C20H28O2" "O2" "CHO" 20 28 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.20928955216 299.20165368564 1.19721265297075 1.2 299 298.867921459226 0.132078540774103 7 0.1 1.4 5 23.0929946259846 22 1 42 0.7 300.2054662 6803.0255 0 0 0 0 "Unambiguous" +353026.037978 299.2230128 "C17H32O4" "O4" "CHO" 17 32 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.23028925216 299.22278305784 0.765219793693019 0.77 299 298.888897710773 0.111102289226721 2 0.235294117647059 1.88235294117647 -2 23.0946199623077 21 0.9 36 0.9 300.226611 21841.373395 0 0 0 0 "Unambiguous" +122656.877445 299.2592987 "C18H36O3" "O3" "CHO" 18 36 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 300.26657515216 299.25916856314 0.433404417104402 0.43 299 298.925143093613 0.074856906386799 1 0.166666666666667 2 -2 23.0974188473308 21 0.9 38 0.9 300.2629969 6754.253617 0 0 0 0 "Unambiguous" +93350.986434 300.9991149 "C14H6O8" "O8" "CHO" 14 6 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.00639135216 300.99899071764 0.411191165423087 0.41 301 300.663016599301 0.3369834006985 12 0.571428571428571 0.428571428571429 4 23.2312513207538 22 0.9 30 0.2 0 0 0 0 0 0 "Unambiguous" +236603.706325 301.0204492 "C11H10O10" "O10" "CHO" 11 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.02772565216 301.02012008984 1.08966870257465 1.09 301 300.684327077232 0.315672922768499 7 0.909090909090909 0.909090909090909 -3 23.2328766570769 21 0.9 24 0.4 0 0 0 0 0 0 "Unambiguous" +1034700.249247 301.0356947 "C15H10O7" "O7" "CHO" 15 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.04297115216 301.03537622294 1.05440977096515 1.05 301 300.69955555397 0.300444446029985 11 0.466666666666667 0.666666666666667 4 23.2340502057769 22 0.9 32 0.3 302.038892 101793.271145 0 0 0 0 "Unambiguous" +1994260.563295 301.0567475 "C12H14O9" "O9" "CHO" 12 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.06402395216 301.05650559514 0.800839692279076 0.8 301 300.720584846225 0.279415153774551 6 0.75 1.16666666666667 -3 23.2356755421 21 0.9 26 0.5 302.0602375 159500.962877 0 0 0 0 "Unambiguous" +1701900.364497 301.0720207 "C16H14O6" "O6" "CHO" 16 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.07929715216 301.07176172824 0.857297280653758 0.86 301 300.735840992034 0.2641590079661 10 0.375 0.875 4 23.2368490908 22 0.9 34 0.4 302.0754768 183293.868176 303.0785172 2283.739 0 0 "Unambiguous" +1589093.309986 301.0931048 "C13H18O8" "O8" "CHO" 13 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.10038125216 301.09289110044 0.707379312488344 0.71 301 300.756901549339 0.243098450660511 5 0.615384615384615 1.38461538461538 -3 23.2384744271231 21 0.9 28 0.6 302.0963728 129447.371478 303.0991959 15682.268902 0 0 "Unambiguous" +937056.186485 301.1083389 "C17H18O5" "O5" "CHO" 17 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.11561535216 301.10814723354 0.634414278084432 0.63 301 300.772118638807 0.227881361192715 9 0.294117647058824 1.05882352941176 4 23.2396479758231 22 0.9 36 0.5 302.1118619 145873.618163 0 0 0 0 "Unambiguous" +1268181.926306 301.1294541 "C14H22O7" "O7" "CHO" 14 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.13673055216 301.12927660574 0.587463363470547 0.59 301 300.793210261386 0.206789738613679 4 0.5 1.57142857142857 -3 23.2412733121462 21 0.9 30 0.7 302.1329392 120864.300821 303.1352998 2632.886974 0 0 "Unambiguous" +610157.749397 301.1447265 "C18H22O4" "O4" "CHO" 18 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.15200295216 301.14453273884 0.641270480130682 0.64 301 300.808465608088 0.191534391911944 8 0.222222222222222 1.22222222222222 4 23.2424468608462 22 0.9 38 0.6 302.1484086 65961.252185 0 0 0 0 "Unambiguous" +736342.976195 301.1658774 "C15H26O6" "O6" "CHO" 15 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.17315385216 301.16566211104 0.712468851969655 0.71 301 300.829592890804 0.170407109195821 3 0.4 1.73333333333333 -3 23.2440721971692 21 0.9 32 0.8 302.1694162 59168.969534 0 0 0 0 "Unambiguous" +223245.769781 301.1811291 "C19H26O3" "O3" "CHO" 19 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.18840555216 301.18091824414 0.69776290600289 0.7 301 300.84482756062 0.155172439380237 7 0.157894736842105 1.36842105263158 4 23.2452457458692 22 0.9 40 0.7 302.1849927 15193.253596 0 0 0 0 "Unambiguous" +359275.257123 301.2022682 "C16H30O5" "O5" "CHO" 16 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.20954465216 301.20204761634 0.729903022253795 0.73 301 300.865943056512 0.13405694348819 2 0.3125 1.875 -3 23.2468710821923 21 0.9 34 0.9 302.2058799 18361.429667 0 0 0 0 "Unambiguous" +5389.698976 301.2172014 "C20H30O2" "O2" "CHO" 20 30 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.22447785216 301.21730374944 -0.338653707754366 0.34 301 300.880859581967 0.119140418032714 6 0.1 1.5 4 23.2480446308923 22 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +56786.272381 301.2389145 "C17H34O4" "O4" "CHO" 17 34 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 302.24619095216 301.23843312164 1.59266973221591 1.59 301 300.902548436926 0.0974515630741166 1 0.235294117647059 2 -3 23.2496699672154 21 0.9 36 0.9 0 0 0 0 0 0 "Unambiguous" +281736.618752 303.0149764 "C14H8O8" "O8" "CHO" 14 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.02225285216 303.01464078144 1.10392761345934 1.1 303 302.676627170342 0.32337282965824 11 0.571428571428571 0.571428571428571 3 23.3863013256615 22 0.9 30 0.3 304.0183569 6011.970263 0 0 0 0 "Unambiguous" +519941.80836 303.0361327 "C11H12O10" "O10" "CHO" 11 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.04340915216 303.03577015364 1.19241644151979 1.19 303 302.697759847028 0.302240152971876 6 0.909090909090909 1.09090909090909 -4 23.3879266619846 21 0.9 24 0.5 0 0 0 0 0 0 "Unambiguous" +1686349.945835 303.0513175 "C15H12O7" "O7" "CHO" 15 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.05859395216 303.05102628674 0.957753754581296 0.96 303 302.712927691545 0.287072308455208 10 0.466666666666667 0.8 3 23.3891002106846 22 0.9 32 0.4 304.0546609 127849.789859 0 0 0 0 "Unambiguous" +12894.579855 303.0667485 "C19H12O4" "O4" "CHO" 19 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.07402495216 303.06628241984 1.53278518318474 1.53 303 302.728341461152 0.271658538847646 14 0.210526315789474 0.631578947368421 10 23.3902737593846 23 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +1458746.043707 303.0723714 "C12H16O9" "O9" "CHO" 12 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.07964785216 303.07215565894 0.709488653802733 0.71 303 302.733958082572 0.266041917428026 5 0.75 1.33333333333333 -4 23.3907255470077 21 0.9 26 0.6 304.0759187 85131.079043 0 0 0 0 "Unambiguous" +1720197.167871 303.0876396 "C16H16O6" "O6" "CHO" 16 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.09491605216 303.08741179204 0.749134391897907 0.75 303 302.749209233963 0.250790766036573 9 0.375 1 3 23.3918990957077 22 0.9 34 0.5 304.0909916 185020.826604 0 0 0 0 "Unambiguous" +758873.255844 303.1087476 "C13H20O8" "O8" "CHO" 13 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.11602405216 303.10854116424 0.678805928215779 0.68 303 302.770293664582 0.229706335417916 4 0.615384615384615 1.53846153846154 -4 23.3935244320308 21 0.9 28 0.7 304.1122625 72573.313427 0 0 0 0 "Unambiguous" +1196468.287964 303.1239928 "C17H20O5" "O5" "CHO" 17 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.13126925216 303.12379729734 0.642823279850557 0.64 303 302.785521841656 0.214478158344434 8 0.294117647058824 1.17647058823529 3 23.3946979807308 22 0.9 36 0.6 304.1274476 158408.346624 0 0 0 0 "Unambiguous" +345600.52929 303.1451993 "C14H24O7" "O7" "CHO" 14 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.15247575216 303.14492666954 0.896361140389032 0.9 303 302.806704662288 0.193295337711788 3 0.5 1.71428571428571 -4 23.3963233170538 21 0.9 30 0.8 304.1487019 16066.707429 0 0 0 0 "Unambiguous" +543597.998835 303.160398 "C18H24O4" "O4" "CHO" 18 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.16767445216 303.16018280264 0.707495825667822 0.71 303 302.821886391284 0.178113608715989 7 0.222222222222222 1.33333333333333 3 23.3974968657538 22 0.9 38 0.6 304.1638374 67557.085751 0 0 0 0 "Unambiguous" +94088.294386 303.1815693 "C15H28O6" "O6" "CHO" 15 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.18884575216 303.18131217484 0.845281355864071 0.85 303 302.843034051221 0.156965948778748 2 0.4 1.86666666666667 -4 23.3991222020769 21 0.9 32 0.9 0 0 0 0 0 0 "Unambiguous" +82991.21913 303.1970073 "C19H28O3" "O3" "CHO" 19 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.20428375216 303.19656830794 1.44308309735612 1.44 303 302.858454813013 0.1415451869874 6 0.157894736842105 1.47368421052632 3 23.4002957507769 22 0.9 40 0.7 304.2000174 4462.456123 0 0 0 0 "Unambiguous" +4634.403157 303.2177978 "C16H32O5" "O5" "CHO" 16 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 304.22507425216 303.21769768014 0.329097988753438 0.33 303 302.879222098155 0.120777901845429 1 0.3125 2 -4 23.4019210871 21 0.9 34 0.9 0 0 0 0 0 0 "Unambiguous" +213293.199655 304.9937992 "C13H6O9" "O9" "CHO" 13 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.00107565216 304.99390533994 -0.346861329504358 0.35 305 304.653240399125 0.346759600874748 11 0.692307692307692 0.461538461538462 2 23.5385524455461 22 0.9 28 0.2 0 0 0 0 0 0 "Unambiguous" +808566.522735 305.030556 "C14H10O8" "O8" "CHO" 14 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.03783245216 305.03029084524 0.866411704226221 0.87 305 304.689956156154 0.310043843846017 10 0.571428571428571 0.714285714285714 2 23.5413513305692 22 0.9 30 0.3 306.0340489 82228.440004 0 0 0 0 "Unambiguous" +39874.496561 305.0459581 "C18H10O5" "O5" "CHO" 18 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.05323455216 305.04554697834 1.34330114374972 1.34 305 304.705341058032 0.294658941968464 14 0.277777777777778 0.555555555555556 9 23.5425248792692 23 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +725830.75952 305.0516914 "C11H14O10" "O10" "CHO" 11 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.05896785216 305.05142021744 0.886046770432229 0.89 305 304.711067956178 0.288932043822456 5 0.909090909090909 1.27272727272727 -5 23.5429766668923 21 0.9 24 0.6 0 0 0 0 0 0 "Unambiguous" +2787618.025832 305.0668976 "C15H14O7" "O7" "CHO" 15 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.07417405216 305.06667635054 0.72286223008175 0.72 305 304.726257176799 0.273742823201246 9 0.466666666666667 0.933333333333333 2 23.5441502155923 22 0.9 32 0.4 306.0703477 249513.526764 0 0 0 0 "Unambiguous" +27950.719313 305.0822341 "C19H14O4" "O4" "CHO" 19 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.08951055216 305.08193248364 0.985386135731472 0.99 305 304.741576551926 0.258423448074154 13 0.210526315789474 0.736842105263158 9 23.5453237642923 23 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +435420.833644 305.0880562 "C12H18O9" "O9" "CHO" 12 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.09533265216 305.08780572274 0.818298200891293 0.82 305 304.747392150917 0.252607849083006 4 0.75 1.5 -5 23.5457755519154 21 0.9 26 0.7 306.0915208 8351.692682 0 0 0 0 "Unambiguous" +1770098.383276 305.1032745 "C16H18O6" "O6" "CHO" 16 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.11055095216 305.10306185584 0.694664588789203 0.69 305 304.762593458027 0.237406541972746 8 0.375 1.125 2 23.5469491006154 22 0.9 34 0.5 306.1066601 189949.945955 307.1101483 2725.630761 0 0 "Unambiguous" +5329.006049 305.1187689 "C20H18O3" "O3" "CHO" 20 18 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.12604535216 305.11831798894 1.47295882497633 1.47 305 304.778070556842 0.22192944315816 12 0.15 0.9 9 23.5481226493154 23 1 42 0.4 0 0 0 0 0 0 "Unambiguous" +99952.738057 305.1243577 "C13H22O8" "O8" "CHO" 13 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.13163415216 305.12419122804 0.543792086334205 0.54 305 304.783653116338 0.216346883662197 3 0.615384615384615 1.69230769230769 -5 23.5485744369385 21 0.9 28 0.8 0 0 0 0 0 0 "Unambiguous" +887948.210392 305.1396513 "C17H22O5" "O5" "CHO" 17 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.14692775216 305.13944736114 0.666147008263037 0.67 305 304.798929639367 0.201070360632571 7 0.294117647058824 1.29411764705882 2 23.5497479856385 22 0.9 36 0.6 306.1428958 78790.189075 0 0 0 0 "Unambiguous" +350347.300003 305.1760486 "C18H26O4" "O4" "CHO" 18 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.18332505216 305.17583286644 0.704589513452958 0.7 305 304.835286297817 0.164713702182951 6 0.222222222222222 1.44444444444444 2 23.5525468706615 22 0.9 38 0.7 306.179718 24394.998934 0 0 0 0 "Unambiguous" +16970.457397 305.2126582 "C19H30O3" "O3" "CHO" 19 30 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 306.21993465216 305.21221837174 1.43631491701336 1.44 305 304.871855019211 0.12814498078933 5 0.157894736842105 1.57894736842105 2 23.5553457556846 22 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +220484.760482 307.0098486 "C13H8O9" "O9" "CHO" 13 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.01712505216 307.00955540374 0.951882983535226 0.95 307 306.667038660355 0.332961339645351 10 0.692307692307692 0.615384615384615 1 23.6936024504538 22 0.9 28 0.3 308.013125 12378.216625 0 0 0 0 "Unambiguous" +32282.313794 307.025349 "C17H8O6" "O6" "CHO" 17 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.03262545216 307.02481153684 1.74482543602599 1.74 307 306.68252175247 0.31747824753046 14 0.352941176470588 0.470588235294118 8 23.6947759991538 23 1 36 0.2 0 0 0 0 0 0 "Unambiguous" +2098345.049644 307.0462284 "C14H12O8" "O8" "CHO" 14 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.05350485216 307.04594090904 0.933250086447277 0.93 307 306.703377838345 0.296622161655023 9 0.571428571428571 0.857142857142857 1 23.6964013354769 22 0.9 30 0.4 308.0496535 185377.452969 0 0 0 0 "Unambiguous" +174687.921524 307.0614995 "C18H12O5" "O5" "CHO" 18 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.06877595216 307.06119704214 0.981786807446907 0.98 307 306.718631886498 0.281368113501685 13 0.277777777777778 0.666666666666667 8 23.6975748841769 23 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +221317.406844 307.0672396 "C11H16O10" "O10" "CHO" 11 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.07451605216 307.06707028124 0.549603265421313 0.55 307 306.724365577051 0.275634422948656 4 0.909090909090909 1.45454545454545 -6 23.6980266718 21 0.9 24 0.7 0 0 0 0 0 0 "Unambiguous" +2481236.890087 307.0825384 "C15H16O7" "O7" "CHO" 15 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.08981485216 307.08232641434 0.688064485595224 0.69 307 306.739647294275 0.260352705725438 8 0.466666666666667 1.06666666666667 1 23.6992002205 22 0.9 32 0.5 308.0859617 232241.262996 309.0891759 2459.783715 0 0 "Unambiguous" +88232.690651 307.0978747 "C19H16O4" "O4" "CHO" 19 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.10515115216 307.09758254744 0.948223549378345 0.95 307 306.754966469625 0.245033530374997 12 0.210526315789474 0.842105263157895 8 23.7003737692 23 1 40 0.4 0 0 0 0 0 0 "Unambiguous" +11902.544799 307.1040292 "C12H20O9" "O9" "CHO" 12 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.11130565216 307.10345578654 1.86105945967735 1.86 307 306.761114097455 0.238885902544666 3 0.75 1.66666666666667 -6 23.7008255568231 21 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +1249771.690753 307.1189271 "C16H20O6" "O6" "CHO" 16 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.12620355216 307.11871191964 0.698351381695513 0.7 307 306.775995362327 0.22400463767292 7 0.375 1.25 1 23.7019991055231 22 0.9 34 0.6 308.1224188 136780.00452 0 0 0 0 "Unambiguous" +2768.173261 307.1334629 "C20H20O3" "O3" "CHO" 20 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.14073935216 307.13396805274 -1.63935720108357 1.64 307 306.790514931523 0.209485068477079 11 0.15 1 8 23.7031726542231 23 1 42 0.5 0 0 0 0 0 0 "Unambiguous" +2969.569674 307.1346416 "C20H20O3" "O3" "CHO" 20 20 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.14191805216 307.13396805274 2.1858345799847 2.19 307 306.791692315376 0.208307684624003 11 0.15 1 8 23.7031726542231 23 1 42 0.5 0 0 0 0 0 0 "Unambiguous" +587950.289399 307.1553323 "C17H24O5" "O5" "CHO" 17 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.16260875216 307.15509742494 0.762178970925027 0.76 307 306.812359911956 0.187640088044475 6 0.294117647058824 1.41176470588235 1 23.7047979905462 22 0.9 36 0.7 308.1588292 66731.370304 0 0 0 0 "Unambiguous" +181181.048287 307.1917241 "C18H28O4" "O4" "CHO" 18 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.19900055216 307.19148293024 0.782513115085228 0.78 307 306.848711076547 0.151288923453478 5 0.222222222222222 1.55555555555556 1 23.7075968755692 22 0.9 38 0.7 308.1949024 8602.284334 0 0 0 0 "Unambiguous" +8874.581937 307.2283003 "C19H32O3" "O3" "CHO" 19 32 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 308.23557675216 307.22786843554 1.40108570396315 1.4 307 306.885246435235 0.114753564765124 4 0.157894736842105 1.68421052631579 1 23.7103957605923 22 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +2448.393598 308.9896784 "C12H6O10" "O10" "CHO" 12 6 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 309.99695485216 308.98881996224 2.76918126643994 2.77 309 308.644657764713 0.355342235286969 10 0.833333333333333 0.5 0 23.8458535703385 22 0.9 26 0.2 0 0 0 0 0 0 "Unambiguous" +723872.730622 309.0255125 "C13H10O9" "O9" "CHO" 13 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.03278895216 309.02520546754 0.990322543102618 0.99 309 308.680451852037 0.319548147963189 9 0.692307692307692 0.769230769230769 0 23.8486524553615 22 0.9 28 0.4 310.0288891 45611.221561 0 0 0 0 "Unambiguous" +222933.9529 309.0408136 "C17H10O6" "O6" "CHO" 17 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.04809005216 309.04046160064 1.1353056872715 1.14 309 308.695735866692 0.304264133308152 13 0.352941176470588 0.588235294117647 7 23.8498260040615 23 1 36 0.3 0 0 0 0 0 0 "Unambiguous" +2736520.789027 309.0618354 "C14H14O8" "O8" "CHO" 14 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.06911185216 309.06159097284 0.788298965151153 0.79 309 308.716734193562 0.283265806437839 8 0.571428571428571 1 0 23.8514513403846 22 0.9 30 0.5 310.0653367 231130.501173 0 0 0 0 "Unambiguous" +434509.998805 309.0771165 "C18H14O5" "O5" "CHO" 18 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.08439295216 309.07684710594 0.868776585134472 0.87 309 308.731998230549 0.26800176945062 12 0.277777777777778 0.777777777777778 7 23.8526248890846 23 1 38 0.4 310.0808485 25119.894098 0 0 0 0 "Unambiguous" +1628815.855142 309.0981948 "C15H18O7" "O7" "CHO" 15 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.10547125216 309.09797647814 0.704024534415569 0.7 309 308.753052994331 0.246947005668687 7 0.466666666666667 1.2 0 23.8542502254077 22 0.9 32 0.6 310.1015516 169722.184556 311.1048279 4179.806925 0 0 "Unambiguous" +130940.202076 309.1136833 "C19H18O4" "O4" "CHO" 19 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.12095975216 309.11323261124 1.45326765516751 1.45 309 308.768524199734 0.231475800266139 11 0.210526315789474 0.947368421052632 7 23.8554237741077 23 1 40 0.4 0 0 0 0 0 0 "Unambiguous" +1002974.628542 309.1345812 "C16H22O6" "O6" "CHO" 16 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.14185765216 309.13436198344 0.706826745947294 0.71 309 308.789398764952 0.210601235047989 6 0.375 1.375 0 23.8570491104308 22 0.9 34 0.6 310.1380644 96128.861592 0 0 0 0 "Unambiguous" +364661.836177 309.1709699 "C17H26O5" "O5" "CHO" 17 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.17824635216 309.17074748874 0.717043385856377 0.72 309 308.825746833005 0.17425316699547 5 0.294117647058824 1.52941176470588 0 23.8598479954538 22 0.9 36 0.7 310.1744755 31132.870737 0 0 0 0 "Unambiguous" +123029.835221 309.2073329 "C18H30O4" "O4" "CHO" 18 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 310.21460935216 309.20713299404 0.644411816819645 0.64 309 308.862069229754 0.137930770246157 4 0.222222222222222 1.66666666666667 0 23.8626468804769 22 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +114689.840675 311.0047483 "C12H8O10" "O10" "CHO" 12 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.01202475216 311.00447002604 0.891869344592442 0.89 311 310.657477619661 0.342522380339119 9 0.833333333333333 0.666666666666667 -1 24.0009035752462 22 0.9 26 0.3 0 0 0 0 0 0 "Unambiguous" +105752.367986 311.0200659 "C16H8O7" "O7" "CHO" 16 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.02734235216 311.01972615914 1.08881759347871 1.09 311 310.672778115892 0.327221884108098 13 0.4375 0.5 6 24.0020771239462 23 1 34 0.2 0 0 0 0 0 0 "Unambiguous" +1087435.403651 311.0411773 "C13H12O9" "O9" "CHO" 13 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.04845375216 311.04085553134 1.03114966983109 1.03 311 310.693865942714 0.306134057285988 8 0.692307692307692 0.923076923076923 -1 24.0037024602692 22 0.9 28 0.4 312.0445567 94299.459305 313.0469872 3756.251427 0 0 "Unambiguous" +904490.102778 311.0563821 "C17H12O6" "O6" "CHO" 17 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.06365855216 311.05611166444 0.866603824618735 0.87 311 310.709053764898 0.290946235101501 12 0.352941176470588 0.705882352941177 6 24.0048760089692 23 1 36 0.3 312.0600278 95929.40475 0 0 0 0 "Unambiguous" +1594405.382735 311.0774523 "C14H16O8" "O8" "CHO" 14 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.08472875216 311.07724103664 0.676942319074038 0.68 311 310.730100437725 0.269899562275043 7 0.571428571428571 1.14285714285714 -1 24.0065013452923 22 0.9 30 0.5 312.0809034 153894.055244 313.0833084 4593.058889 0 0 "Unambiguous" +756391.792234 311.0927006 "C18H16O5" "O5" "CHO" 18 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.09997705216 311.09249716974 0.651811198201132 0.65 311 310.745331711337 0.254668288663026 11 0.277777777777778 0.888888888888889 6 24.0076748939923 23 1 38 0.4 312.0962241 81668.809997 0 0 0 0 "Unambiguous" +1332487.025521 311.1138426 "C15H20O7" "O7" "CHO" 15 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.12111905216 311.11362654194 0.692225058851886 0.69 311 310.766450103991 0.233549896009094 6 0.466666666666667 1.33333333333333 -1 24.0093002303154 22 0.9 32 0.6 312.1173394 130575.65446 0 0 0 0 "Unambiguous" +176878.483206 311.1292397 "C19H20O4" "O4" "CHO" 19 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.13651615216 311.12888267504 1.14381029304556 1.14 311 310.781830011452 0.218169988548482 10 0.210526315789474 1.05263157894737 6 24.0104737790154 23 1 40 0.5 312.132224 6555.449006 0 0 0 0 "Unambiguous" +865552.168208 311.1503199 "C16H24O6" "O6" "CHO" 16 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.15759635216 311.15001204724 0.986209413404545 0.99 311 310.802886673112 0.1971133268882 5 0.375 1.5 -1 24.0120991153385 22 0.9 34 0.7 312.1536235 127047.393023 0 0 0 0 "Unambiguous" +319814.067045 311.1865965 "C17H28O5" "O5" "CHO" 17 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.19387295216 311.18639755254 0.637256132395338 0.64 311 310.839122766336 0.160877233663825 4 0.294117647058824 1.64705882352941 -1 24.0148980003615 22 0.9 36 0.8 312.1900544 16406.288508 0 0 0 0 "Unambiguous" +162609.825163 311.2228969 "C18H32O4" "O4" "CHO" 18 32 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.23017335216 311.22278305784 0.364609732656017 0.36 311 310.875382632985 0.124617367014707 3 0.222222222222222 1.77777777777778 -1 24.0176968853846 22 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +41036.923596 311.2597369 "C19H36O3" "O3" "CHO" 19 36 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.26701335216 311.25916856314 1.82003489242973 1.82 311 310.912181497112 0.087818502887842 2 0.157894736842105 1.89473684210526 -1 24.0204957704077 22 0.9 40 0.9 312.2627195 2132.35973 0 0 0 0 "Unambiguous" +592032.920397 311.2958362 "C20H40O2" "O2" "CHO" 20 40 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 312.30311265216 311.29555406844 0.903390163403853 0.9 311 310.948240488311 0.0517595116887151 1 0.1 2 -1 24.0232946554308 22 0.9 42 1 312.2992655 87783.729279 0 0 0 0 "Unambiguous" +240084.256156 313.0203487 "C12H10O10" "O10" "CHO" 12 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.02762515216 313.02012008984 0.727993786752213 0.73 313 312.670827382248 0.329172617752306 8 0.833333333333333 0.833333333333333 -2 24.1559535801538 22 0.9 26 0.4 314.0238453 5170.400594 0 0 0 0 "Unambiguous" +626487.442712 313.0356337 "C16H10O7" "O7" "CHO" 16 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.04291015216 313.03537622294 0.819878595230539 0.82 313 312.68609531488 0.313904685119837 12 0.4375 0.625 5 24.1571271288538 23 1 34 0.3 314.0390262 49187.926174 0 0 0 0 "Unambiguous" +1144349.450025 313.0567663 "C13H14O9" "O9" "CHO" 13 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.06404275216 313.05650559514 0.830100949241445 0.83 313 312.70720431803 0.292795681969835 7 0.692307692307692 1.07692307692308 -2 24.1587524651769 22 0.9 28 0.5 314.0599146 112723.75405 0 0 0 0 "Unambiguous" +1053594.38823 313.0720136 "C17H14O6" "O6" "CHO" 17 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.07929005216 313.07176172824 0.801936861050929 0.8 313 312.722434592759 0.277565407241241 11 0.352941176470588 0.823529411764706 5 24.1599260138769 23 1 36 0.4 314.0755685 130607.228425 315.0786618 2827.944728 0 0 "Unambiguous" +1260580.914617 313.0931265 "C14H18O8" "O8" "CHO" 14 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.10040295216 313.09289110044 0.74944049027266 0.75 313 312.743523917906 0.256476082093968 6 0.571428571428571 1.28571428571429 -2 24.1615513502 22 0.9 30 0.6 314.0965403 110942.659149 315.0990068 2225.126608 0 0 "Unambiguous" +757026.215541 313.108415 "C18H18O5" "O5" "CHO" 18 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.11569145216 313.10814723354 0.8524453483203 0.85 313 312.75879534663 0.241204653369664 10 0.277777777777778 1 5 24.1627248989 23 1 38 0.5 314.1117615 107562.101325 0 0 0 0 "Unambiguous" +1115990.6772 313.1294744 "C15H22O7" "O7" "CHO" 15 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.13675085216 313.12927660574 0.629643807795709 0.63 313 312.779831231516 0.220168768483802 5 0.466666666666667 1.46666666666667 -2 24.1643502352231 22 0.9 32 0.7 314.1330389 141193.492082 0 0 0 0 "Unambiguous" +555584.270878 313.1447612 "C19H22O4" "O4" "CHO" 19 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.15203765216 313.14453273884 0.727231189482998 0.73 313 312.795100962139 0.204899037861253 9 0.210526315789474 1.15789473684211 5 24.1655237839231 23 1 40 0.6 314.148155 61901.935326 0 0 0 0 "Unambiguous" +636501.96925 313.1657644 "C16H26O6" "O6" "CHO" 16 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.17304085216 313.16566211104 0.325581595877008 0.33 313 312.816080709778 0.183919290222036 4 0.375 1.625 -2 24.1671491202462 22 0.9 34 0.8 314.1693893 65831.405496 0 0 0 0 "Unambiguous" +541449.363422 313.1811935 "C20H26O3" "O3" "CHO" 20 26 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.18846995216 313.18091824414 0.876085172844075 0.88 313 312.831492581507 0.168507418492936 8 0.15 1.3 5 24.1683226689462 23 1 42 0.6 314.1845358 64838.937651 0 0 0 0 "Unambiguous" +353080.281165 313.2024104 "C17H30O5" "O5" "CHO" 17 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.20968685216 313.20204761634 1.1545909473942 1.15 313 312.852685790527 0.147314209472995 3 0.294117647058824 1.76470588235294 -2 24.1699480052692 22 0.9 36 0.8 314.2059081 9048.059405 0 0 0 0 "Unambiguous" +301405.895741 313.2386738 "C18H34O4" "O4" "CHO" 18 34 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.24595025216 313.23843312164 0.765891683911056 0.77 313 312.888908698491 0.111091301509362 2 0.222222222222222 1.88888888888889 -2 24.1727468902923 22 0.9 38 0.9 314.2421603 21455.509421 0 0 0 0 "Unambiguous" +36925.956677 313.2751464 "C19H38O3" "O3" "CHO" 19 38 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 314.28242285216 313.27481862694 1.04292520412991 1.04 313 312.92534057286 0.0746594271404319 1 0.157894736842105 2 -2 24.1755457753154 22 0.9 40 0.9 0 0 0 0 0 0 "Unambiguous" +247930.868258 315.0149385 "C15H8O8" "O8" "CHO" 15 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.02221495216 315.01464078144 0.942081113124986 0.94 315 314.663190005458 0.336809994541795 12 0.533333333333333 0.533333333333333 4 24.3093782487385 23 0.9 32 0.2 316.0180331 2288.794875 0 0 0 0 "Unambiguous" +456432.713536 315.0360302 "C12H12O10" "O10" "CHO" 12 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.04330665216 315.03577015364 0.822818754792954 0.82 315 314.684258154278 0.315741845722471 7 0.833333333333333 1 -3 24.3110035850615 22 0.9 26 0.5 316.0396193 23878.396835 317.0419157 5622.191649 0 0 "Unambiguous" +1151946.746184 315.0513105 "C16H12O7" "O7" "CHO" 16 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.05858695216 315.05102628674 0.899242329495968 0.9 315 314.699521392158 0.300478607841967 11 0.4375 0.75 4 24.3121771337615 23 0.9 34 0.4 316.0546412 149683.776812 317.0585942 3388.178872 0 0 "Unambiguous" +1192890.451308 315.0723676 "C13H16O9" "O9" "CHO" 13 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.07964405216 315.07215565894 0.670530557692885 0.67 315 314.720554979612 0.279445020387925 6 0.692307692307692 1.23076923076923 -3 24.3138024700846 22 0.9 28 0.6 316.0756232 122134.862421 317.078172 25349.909278 0 0 "Unambiguous" +993040.849705 315.0876418 "C17H16O6" "O6" "CHO" 17 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.09491825216 315.08741179204 0.727654722419711 0.73 315 314.735812124304 0.264187875696166 10 0.352941176470588 0.941176470588235 4 24.3149760187846 23 0.9 36 0.4 316.0908805 118224.41885 0 0 0 0 "Unambiguous" +1067385.279399 315.1087726 "C14H20O8" "O8" "CHO" 14 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.11604905216 315.10854116424 0.732122777947144 0.73 315 314.756919329464 0.243080670536131 5 0.571428571428571 1.42857142857143 -3 24.3166013551077 22 0.9 30 0.7 316.1121639 84499.035149 317.1148177 3907.571506 0 0 "Unambiguous" +778309.742782 315.123954 "C18H20O5" "O5" "CHO" 18 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.13123045216 315.12379729734 0.495688641110858 0.5 315 314.772083777777 0.22791622222303 9 0.277777777777778 1.11111111111111 4 24.3177749038077 23 0.9 38 0.5 316.1274095 82284.642342 317.131151 2961.001287 0 0 "Unambiguous" +776674.140659 315.1451199 "C15H24O7" "O7" "CHO" 15 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.15239635216 315.14492666954 0.61119403883292 0.61 315 314.793226043744 0.206773956256086 4 0.466666666666667 1.6 -3 24.3194002401308 22 0.9 32 0.8 316.1486903 104495.198896 0 0 0 0 "Unambiguous" +487416.816763 315.1604252 "C19H24O4" "O4" "CHO" 19 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.16770165216 315.16018280264 0.766673378542368 0.77 315 314.808514253709 0.191485746290766 8 0.210526315789474 1.26315789473684 4 24.3205737888308 23 0.9 40 0.6 316.1639282 50134.187393 0 0 0 0 "Unambiguous" +536989.297198 315.1815174 "C16H28O6" "O6" "CHO" 16 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.18879385216 315.18131217484 0.649058929369125 0.65 315 314.82958290197 0.170417098029702 3 0.375 1.75 -3 24.3221991251538 22 0.9 34 0.8 316.1849721 63151.408835 0 0 0 0 "Unambiguous" +222824.227142 315.1967455 "C20H28O3" "O3" "CHO" 20 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.20402195216 315.19656830794 0.560372568813214 0.56 315 314.844793998138 0.155206001862211 7 0.15 1.4 4 24.3233726738538 23 0.9 42 0.7 316.1999509 6021.611481 0 0 0 0 "Unambiguous" +174589.53798 315.2179128 "C17H32O5" "O5" "CHO" 17 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.22518925216 315.21769768014 0.680274270899663 0.68 315 314.865937662542 0.134062337458488 2 0.294117647058824 1.88235294117647 -3 24.3249980101769 22 0.9 36 0.9 316.2210454 4309.852714 0 0 0 0 "Unambiguous" +12991.537745 315.2545429 "C18H36O4" "O4" "CHO" 18 36 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 316.26181935216 315.25408318544 1.45358855188527 1.45 315 314.902526861045 0.0974731389554222 1 0.222222222222222 2 -3 24.3277968952 22 0.9 38 0.9 0 0 0 0 0 0 "Unambiguous" +30661.957953 316.9943923 "C14H6O9" "O9" "CHO" 14 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.00166875216 316.99390533994 1.53131290783345 1.53 317 316.640433529661 0.359566470338507 12 0.642857142857143 0.428571428571429 3 24.4616293686231 23 0.9 30 0.2 0 0 0 0 0 0 "Unambiguous" +14048.746225 317.0151681 "C11H10O11" "O11" "CHO" 11 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.02244455216 317.01503471214 0.419429075759841 0.42 317 316.661186131218 0.338813868782438 7 1 0.909090909090909 -4 24.4632547049462 22 0.9 24 0.4 0 0 0 0 0 0 "Unambiguous" +529793.652812 317.0306617 "C15H10O8" "O8" "CHO" 15 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.03793815216 317.03029084524 1.16607082203233 1.17 317 316.676662430925 0.323337569074567 11 0.533333333333333 0.666666666666667 3 24.4644282536462 23 0.9 32 0.3 318.0337706 33586.289294 0 0 0 0 "Unambiguous" +2749.086069 317.0460681 "C19H10O5" "O5" "CHO" 19 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.05334455216 317.04554697834 1.63847250454947 1.64 317 316.692051628002 0.307948371998464 15 0.263157894736842 0.526315789473684 10 24.4656018023462 24 1 40 0.2 0 0 0 0 0 0 "Unambiguous" +759485.231874 317.051663 "C12H14O10" "O10" "CHO" 12 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.05893945216 317.05142021744 0.7633256920337 0.76 317 316.697640280686 0.302359719313756 6 0.833333333333333 1.16666666666667 -4 24.4660535899692 22 0.9 26 0.5 318.0551595 51176.296521 319.0574655 14142.498747 0 0 "Unambiguous" +1388568.914264 317.0669431 "C16H14O7" "O7" "CHO" 16 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.07421955216 317.06667635054 0.838639045943933 0.84 317 316.71290331879 0.28709668120996 10 0.4375 0.875 3 24.4672271386692 23 0.9 34 0.4 318.0703705 172665.60304 0 0 0 0 "Unambiguous" +12279.60709 317.0825954 "C20H14O4" "O4" "CHO" 20 14 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.08987185216 317.08193248364 2.08405365483534 2.08 317 316.728538141292 0.271461858707937 14 0.2 0.7 10 24.4684006873692 24 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +811835.550825 317.0879869 "C13H18O9" "O9" "CHO" 13 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.09526335216 317.08780572274 0.569569185326006 0.57 317 316.733923621095 0.266076378905041 5 0.692307692307692 1.38461538461538 -4 24.4688524749923 22 0.9 28 0.6 318.0915346 52832.771999 0 0 0 0 "Unambiguous" +1075183.029247 317.103268 "C17H18O6" "O6" "CHO" 17 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.11054445216 317.10306185584 0.648026805815709 0.65 317 316.749187658082 0.250812341917765 9 0.352941176470588 1.05882352941176 3 24.4700260236923 23 0.9 36 0.5 318.1067908 141326.720905 0 0 0 0 "Unambiguous" +603636.263703 317.1243482 "C14H22O8" "O8" "CHO" 14 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.13162465216 317.12419122804 0.493418282974146 0.49 317 316.770244319743 0.229755680257483 4 0.571428571428571 1.57142857142857 -4 24.4716513600154 22 0.9 30 0.7 318.1277565 43159.399843 0 0 0 0 "Unambiguous" +1068823.06599 317.1396443 "C18H22O5" "O5" "CHO" 18 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.14692075216 317.13944736114 0.619018595264887 0.62 317 316.785523339981 0.214476660019386 8 0.277777777777778 1.22222222222222 3 24.4728249087154 23 0.9 38 0.6 318.14309 114913.58106 0 0 0 0 "Unambiguous" +255446.065743 317.1608049 "C15H26O7" "O7" "CHO" 15 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.16808135216 317.16057673334 0.717126177581001 0.72 317 316.806660311866 0.193339688134358 3 0.466666666666667 1.73333333333333 -4 24.4744502450385 22 0.9 32 0.8 318.1640492 6752.770916 0 0 0 0 "Unambiguous" +462009.850428 317.176002 "C19H26O4" "O4" "CHO" 19 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.18327845216 317.17583286644 0.531560177611815 0.53 317 316.821840442648 0.178159557351989 7 0.210526315789474 1.36842105263158 3 24.4756237937385 23 0.9 40 0.7 318.1796343 40691.527574 0 0 0 0 "Unambiguous" +90797.918829 317.1971884 "C16H30O6" "O6" "CHO" 16 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.20446485216 317.19696223864 0.710742258603421 0.71 317 316.843003185725 0.156996814275487 2 0.375 1.875 -4 24.4772491300615 22 0.9 34 0.9 0 0 0 0 0 0 "Unambiguous" +51540.384509 317.2122607 "C20H30O3" "O3" "CHO" 20 30 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 318.21953715216 317.21221837174 0.133015905896194 0.13 317 316.85805865586 0.141941344140321 6 0.15 1.5 3 24.4784226787615 23 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +113225.780619 319.009833 "C14H8O9" "O9" "CHO" 14 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.01710945216 319.00955540374 0.86744193292184 0.87 319 318.653623770571 0.346376229429268 11 0.642857142857143 0.571428571428571 2 24.6166793735308 23 0.9 30 0.3 0 0 0 0 0 0 "Unambiguous" +74997.997289 319.0309745 "C11H12O11" "O11" "CHO" 11 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.03825095216 319.03068477594 0.905279475607734 0.91 319 318.674741663783 0.325258336217018 6 1 1.09090909090909 -5 24.6183047098538 22 0.9 24 0.5 0 0 0 0 0 0 "Unambiguous" +1065273.235717 319.046199 "C15H12O8" "O8" "CHO" 15 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.05347545216 319.04594090904 0.806399491998398 0.81 319 318.68994916397 0.310050836029745 10 0.533333333333333 0.8 2 24.6194782585538 23 0.9 32 0.4 320.0497188 108790.391626 0 0 0 0 "Unambiguous" +21803.978031 319.0617611 "C19H12O5" "O5" "CHO" 19 12 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.06903755216 319.06119704214 1.76230060963571 1.76 319 318.70549388719 0.294506112809586 14 0.263157894736842 0.631578947368421 9 24.6206518072538 24 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +690233.350789 319.0673646 "C12H16O10" "O10" "CHO" 12 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.07464105216 319.06707028124 0.919531641348809 0.92 319 318.711091130272 0.288908869727777 5 0.833333333333333 1.33333333333333 -5 24.6211035948769 22 0.9 26 0.6 320.070988 28930.478512 0 0 0 0 "Unambiguous" +1626307.279995 319.0825291 "C16H16O7" "O7" "CHO" 16 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.08980555216 319.08232641434 0.633214980514156 0.63 319 318.726238697456 0.27376130254396 9 0.4375 1 2 24.6222771435769 23 0.9 34 0.5 320.0858714 187466.291723 0 0 0 0 "Unambiguous" +17909.700488 319.0978605 "C20H16O4" "O4" "CHO" 20 16 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.10513695216 319.09758254744 0.868316462035315 0.87 319 318.741552978278 0.258447021722134 13 0.2 0.8 9 24.6234506922769 24 1 42 0.4 0 0 0 0 0 0 "Unambiguous" +313360.545758 319.1037128 "C13H20O9" "O9" "CHO" 13 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.11098925216 319.10345578654 0.802888587445381 0.8 319 318.747398743547 0.252601256452635 4 0.692307692307692 1.53846153846154 -5 24.6239024799 22 0.9 28 0.7 320.1072287 7377.149495 321.1095586 3237.054179 0 0 "Unambiguous" +1205565.513236 319.1188971 "C17H20O6" "O6" "CHO" 17 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.12617355216 319.11871191964 0.578460542452242 0.58 319 318.762566088622 0.23743391137765 8 0.352941176470588 1.17647058823529 2 24.6250760286 23 0.9 36 0.6 320.1222172 151963.295915 0 0 0 0 "Unambiguous" +52126.940072 319.1401887 "C14H24O8" "O8" "CHO" 14 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.14746515216 319.13984129184 1.08515043163314 1.09 319 318.783833914232 0.216166085768407 3 0.571428571428571 1.71428571428571 -5 24.6267013649231 22 0.9 30 0.8 0 0 0 0 0 0 "Unambiguous" +653316.74768 319.1552918 "C18H24O5" "O5" "CHO" 18 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.16256825216 319.15509742494 0.607113633133306 0.61 319 318.798920149975 0.201079850024826 7 0.277777777777778 1.33333333333333 2 24.6278749136231 23 0.9 38 0.6 320.1587525 103066.178476 0 0 0 0 "Unambiguous" +178225.943299 319.1918422 "C19H28O4" "O4" "CHO" 19 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.19911865216 319.19148293024 1.12201982787869 1.12 319 318.835429737472 0.164570262528002 6 0.210526315789474 1.47368421052632 2 24.6306737986462 23 0.9 40 0.7 320.1954743 3616.263583 0 0 0 0 "Unambiguous" +4709.454115 319.2281485 "C20H32O3" "O3" "CHO" 20 32 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 320.23542495216 319.22786843554 0.874558022605126 0.87 319 318.871695497533 0.128304502466904 5 0.15 1.6 2 24.6334726836692 23 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +459742.485633 321.025522 "C14H10O9" "O9" "CHO" 14 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.03279845216 321.02520546754 0.982919943417445 0.98 321 320.667062034226 0.332937965773965 10 0.642857142857143 0.714285714285714 1 24.7717293784385 23 0.9 30 0.3 322.0287952 21896.543286 0 0 0 0 "Unambiguous" +30601.544993 321.0407036 "C18H10O6" "O6" "CHO" 18 10 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.04798005216 321.04046160064 0.751438838145158 0.75 321 320.682226682316 0.317773317684214 14 0.333333333333333 0.555555555555556 8 24.7729029271385 24 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +101329.552239 321.0466841 "C11H14O11" "O11" "CHO" 11 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.05396055216 321.04633483974 1.08447745654246 1.08 321 320.688200504436 0.311799495563889 5 1 1.27272727272727 -6 24.7733547147615 22 0.9 24 0.6 0 0 0 0 0 0 "Unambiguous" +1880712.868295 321.0618418 "C15H14O8" "O8" "CHO" 15 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.06911825216 321.06159097284 0.778799163911023 0.78 321 320.703341279213 0.296658720787093 9 0.533333333333333 0.933333333333333 1 24.7745282634615 23 0.9 32 0.4 322.0652417 218181.550727 323.0678873 4823.377921 0 0 "Unambiguous" +110815.082443 321.0771192 "C19H14O5" "O5" "CHO" 19 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.08439565216 321.07684710594 0.844791190520709 0.84 321 320.718601620332 0.281398379668417 13 0.263157894736842 0.736842105263158 8 24.7757018121615 24 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +174814.356939 321.0827755 "C12H18O10" "O10" "CHO" 12 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.09005195216 321.08272034504 0.171240805758776 0.17 321 320.724251604456 0.27574839554353 4 0.833333333333333 1.5 -6 24.7761535997846 22 0.9 26 0.7 0 0 0 0 0 0 "Unambiguous" +1395907.905753 321.0981585 "C16H18O7" "O7" "CHO" 16 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.10543495216 321.09797647814 0.565100244485144 0.57 321 320.739617427661 0.260382572338756 8 0.4375 1.125 1 24.7773271484846 23 0.9 34 0.5 322.1016165 175530.794235 0 0 0 0 "Unambiguous" +15428.860906 321.1137607 "C20H18O4" "O4" "CHO" 20 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.12103715216 321.11323261124 1.63941096388898 1.64 321 320.755202206105 0.244797793894691 12 0.2 0.9 8 24.7785006971846 24 1 42 0.4 0 0 0 0 0 0 "Unambiguous" +893865.826642 321.1345627 "C17H22O6" "O6" "CHO" 17 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.14183915216 321.13436198344 0.623068895814504 0.62 321 320.775980978406 0.224019021593733 7 0.352941176470588 1.29411764705882 1 24.7801260335077 23 0.9 36 0.6 322.138054 105613.407963 0 0 0 0 "Unambiguous" +443389.884103 321.1709907 "C18H26O5" "O5" "CHO" 18 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.17826715216 321.17074748874 0.754896542677654 0.75 321 320.812368302576 0.187631697423967 6 0.277777777777778 1.44444444444444 1 24.7829249185308 23 0.9 38 0.7 322.1744098 30574.633784 0 0 0 0 "Unambiguous" +75676.614652 321.2073559 "C19H30O4" "O4" "CHO" 19 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.21463235216 321.20713299404 0.691793412146878 0.69 321 320.848692896869 0.15130710313116 5 0.210526315789474 1.57894736842105 1 24.7857238035538 23 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +3913.150352 321.2435715 "C20H34O3" "O3" "CHO" 20 34 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 322.25084795216 321.24351849934 0.164470195580926 0.16 321 320.884868058206 0.115131941793663 4 0.15 1.7 1 24.7885226885769 23 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +86551.917006 323.0045662 "C13H8O10" "O10" "CHO" 13 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.01184265216 323.00447002604 0.296822360614115 0.3 323 322.643896415792 0.356103584207688 10 0.769230769230769 0.615384615384615 0 24.9239804983231 23 0.9 28 0.3 0 0 0 0 0 0 "Unambiguous" +16686.640119 323.0197512 "C17H8O7" "O7" "CHO" 17 8 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.02702765216 323.01972615914 0.0772801581835249 0.08 323 322.659064460086 0.340935539914369 14 0.411764705882353 0.470588235294118 7 24.9251540470231 24 1 36 0.2 0 0 0 0 0 0 "Unambiguous" +920917.643017 323.0411106 "C14H12O9" "O9" "CHO" 14 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.04838705216 323.04085553134 0.787131398453851 0.79 323 322.680400009989 0.31959999001117 9 0.642857142857143 0.857142857142857 0 24.9267793833462 23 0.9 30 0.4 324.0445635 73776.561116 0 0 0 0 "Unambiguous" +222693.170328 323.0563947 "C18H12O6" "O6" "CHO" 18 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.06367115216 323.05611166444 0.873394907273782 0.87 323 322.695667043626 0.304332956373798 13 0.333333333333333 0.666666666666667 7 24.9279529320462 24 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +10682.598024 323.0611792 "C11H16O11" "O11" "CHO" 11 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.06845565216 323.06198490354 -2.48621402630286 2.49 323 322.700446201211 0.299553798789191 4 1 1.45454545454545 -7 24.9284047196692 22 0.9 24 0.7 0 0 0 0 0 0 "Unambiguous" +1615112.516282 323.0774627 "C15H16O8" "O8" "CHO" 15 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.08473915216 323.07724103664 0.683967287743393 0.68 323 322.716711518909 0.283288481090779 8 0.533333333333333 1.06666666666667 0 24.9295782683692 23 0.9 32 0.5 324.0805801 190932.138893 325.0841739 2696.859134 0 0 "Unambiguous" +174740.781001 323.0928813 "C19H16O5" "O5" "CHO" 19 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.10015775216 323.09249716974 1.18522083621389 1.19 323 322.732112902363 0.267887097637299 12 0.263157894736842 0.842105263157895 7 24.9307518170692 24 1 40 0.4 324.0957971 7147.250964 0 0 0 0 "Unambiguous" +26677.088501 323.0982374 "C12H20O10" "O10" "CHO" 12 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.10551385216 323.09837040884 -0.410387464168167 0.41 323 322.737463021694 0.2625369783064 3 0.833333333333333 1.66666666666667 -7 24.9312036046923 22 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +1016120.48509 323.1138272 "C16H20O7" "O7" "CHO" 16 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.12110365216 323.11362654194 0.619083601001541 0.62 323 322.753035413984 0.246964586016361 7 0.4375 1.25 0 24.9323771533923 23 0.9 34 0.6 324.1172805 114748.079642 0 0 0 0 "Unambiguous" +46320.807301 323.1291309 "C20H20O4" "O4" "CHO" 20 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.13640735216 323.12888267504 0.765804008309513 0.77 323 322.768322025736 0.231677974264471 11 0.2 1 7 24.9335507020923 24 1 42 0.5 0 0 0 0 0 0 "Unambiguous" +602047.126938 323.1502317 "C17H24O6" "O6" "CHO" 17 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.15750815216 323.15001204724 0.677611205882696 0.68 323 322.789399264394 0.210600735606306 6 0.352941176470588 1.41176470588235 0 24.9351760384154 23 0.9 36 0.7 324.1536522 73316.602506 0 0 0 0 "Unambiguous" +2571.239997 323.1649811 "C21H24O3" "O3" "CHO" 21 24 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.17225755216 323.16526818034 -0.885579605636904 0.89 323 322.804132195082 0.195867804918123 10 0.142857142857143 1.14285714285714 7 24.9363495871154 24 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +314460.906821 323.1866471 "C18H28O5" "O5" "CHO" 18 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.19392355216 323.18639755254 0.769747493442876 0.77 323 322.825774002633 0.174225997367216 5 0.277777777777778 1.55555555555556 0 24.9379749234385 23 0.9 38 0.7 324.190026 17562.751394 0 0 0 0 "Unambiguous" +23419.796319 323.2232117 "C19H32O4" "O4" "CHO" 19 32 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.23048815216 323.22278305784 1.32202916027888 1.32 323 322.862297774274 0.137702225726287 4 0.210526315789474 1.68421052631579 0 24.9407738084615 23 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +2081.497758 323.2596537 "C20H36O3" "O3" "CHO" 20 36 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.26693015216 323.25916856314 1.49610341030508 1.5 323 322.898699082811 0.101300917189008 3 0.15 1.8 0 24.9435726934846 23 0.9 42 0.9 0 0 0 0 0 0 "Unambiguous" +18177.023488 323.3322405 "C22H44O" "O" "CHO" 22 44 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 324.33951695216 323.33193957374 0.927812506019154 0.93 323 322.971204831742 0.0287951682583412 1 0.0454545454545455 2 0 24.9491704635308 23 0.9 46 1 0 0 0 0 0 0 "Unambiguous" +208243.31245 325.0204663 "C13H10O10" "O10" "CHO" 13 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.02774275216 325.02012008984 1.06190398727065 1.06 325 324.657545543731 0.342454456268513 9 0.769230769230769 0.769230769230769 -1 25.0790305032308 23 0.9 28 0.4 326.0234252 2552.582688 0 0 0 0 "Unambiguous" +219935.981414 325.0357072 "C17H10O7" "O7" "CHO" 17 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.04298365216 325.03537622294 1.0151332081899 1.02 325 324.672769425606 0.327230574393639 13 0.411764705882353 0.588235294117647 6 25.0802040519308 24 1 36 0.3 326.0395291 11297.594099 0 0 0 0 "Unambiguous" +1294279.020982 325.0567664 "C14H14O9" "O9" "CHO" 14 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.06404285216 325.05650559514 0.79985777564535 0.8 325 324.693805110716 0.306194889284484 8 0.642857142857143 1 -1 25.0818293882538 23 0.9 30 0.5 326.0601698 123751.625109 327.063244 4130.696089 0 0 "Unambiguous" +559474.720432 325.0720669 "C18H14O6" "O6" "CHO" 18 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.07934335216 325.07176172824 0.93588191401146 0.94 325 324.70908852604 0.290911473959511 12 0.333333333333333 0.777777777777778 6 25.0830029369538 24 1 38 0.4 326.0754796 80374.810247 0 0 0 0 "Unambiguous" +972667.147423 325.093156 "C15H18O8" "O8" "CHO" 15 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.10043245216 325.09289110044 0.812325080437834 0.81 325 324.730154077763 0.269845922236925 7 0.533333333333333 1.2 -1 25.0846282732769 23 0.9 32 0.6 326.0963541 114592.902514 0 0 0 0 "Unambiguous" +240602.965143 325.1083419 "C19H18O5" "O5" "CHO" 19 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.11561835216 325.10814723354 0.596924676728395 0.6 325 324.745323021051 0.25467697894851 11 0.263157894736842 0.947368421052632 6 25.0858018219769 24 1 40 0.4 326.1119562 10635.533846 0 0 0 0 "Unambiguous" +835413.331237 325.1295089 "C16H22O7" "O7" "CHO" 16 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.13678535216 325.12927660574 0.712260224650461 0.71 325 324.76646638579 0.233533614209819 6 0.4375 1.375 -1 25.0874271583 23 0.9 34 0.6 326.132951 108440.820745 0 0 0 0 "Unambiguous" +45360.436113 325.1446895 "C20H22O4" "O4" "CHO" 20 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.15196595216 325.14453273884 0.480638402974229 0.48 325 324.781630034997 0.218369965003376 10 0.2 1.1 6 25.088600707 24 1 42 0.5 0 0 0 0 0 0 "Unambiguous" +492079.109484 325.1659376 "C17H26O6" "O6" "CHO" 17 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.17321405216 325.16566211104 0.844609392064349 0.84 325 324.802854409178 0.197145590821719 5 0.352941176470588 1.52941176470588 -1 25.0902260433231 23 0.9 36 0.7 326.1691188 35359.937768 0 0 0 0 "Unambiguous" +183856.108949 325.2023685 "C18H30O5" "O5" "CHO" 18 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.20964495216 325.20204761634 0.983673122320227 0.98 325 324.83924463011 0.160755369890126 4 0.277777777777778 1.66666666666667 -1 25.0930249283462 23 0.9 38 0.8 326.2052392 8348.759356 0 0 0 0 "Unambiguous" +64544.81177 325.2389186 "C19H34O4" "O4" "CHO" 19 34 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.24619505216 325.23843312164 1.48807363066711 1.49 325 324.875753917942 0.124246082058335 3 0.210526315789474 1.78947368421053 -1 25.0958238133692 23 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +84946.740531 325.275027 "C20H38O3" "O3" "CHO" 20 38 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.28230345216 325.27481862694 0.638628138403033 0.64 325 324.91182199898 0.0881780010202533 2 0.15 1.9 -1 25.0986226983923 23 0.9 42 0.9 326.2785499 2483.99647 0 0 0 0 "Unambiguous" +112414.592561 325.3115184 "C21H42O2" "O2" "CHO" 21 42 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 326.31879485216 325.31120413224 0.963069749508187 0.96 325 324.948272652356 0.0517273476435207 1 0.0952380952380952 2 -1 25.1014215834154 23 0.9 44 1 326.3146458 2343.770098 0 0 0 0 "Unambiguous" +68580.666662 327.0150084 "C16H8O8" "O8" "CHO" 16 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.02228485216 327.01464078144 1.12071214969847 1.12 327 326.649860520204 0.350139479795814 13 0.5 0.5 5 25.2324551718154 24 1 34 0.2 0 0 0 0 0 0 "Unambiguous" +412395.202161 327.0360645 "C13H12O10" "O10" "CHO" 13 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.04334095216 327.03577015364 0.897278875307872 0.9 327 326.670893108775 0.329106891225194 8 0.769230769230769 0.923076923076923 -2 25.2340805081385 23 0.9 28 0.4 328.0395431 13958.646319 0 0 0 0 "Unambiguous" +816037.284547 327.0512426 "C17H12O7" "O7" "CHO" 17 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.05851905216 327.05102628674 0.65937400631047 0.66 327 326.686054260773 0.313945739227222 12 0.411764705882353 0.705882352941177 5 25.2352540568385 24 1 36 0.3 328.0547907 76448.498487 0 0 0 0 "Unambiguous" +973208.508923 327.0723422 "C14H16O9" "O9" "CHO" 14 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.07961865216 327.07215565894 0.568584725687027 0.57 327 326.707130300771 0.292869699229129 7 0.642857142857143 1.14285714285714 -2 25.2368793931615 23 0.9 30 0.5 328.075782 84758.469518 329.0786426 6559.465008 0 0 "Unambiguous" +1066738.796497 327.087619 "C18H16O6" "O6" "CHO" 18 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.09489545216 327.08741179204 0.631548868688406 0.63 327 326.72239004256 0.277609957440404 11 0.333333333333333 0.888888888888889 5 25.2380529418615 24 1 38 0.4 328.0909909 132610.9165 0 0 0 0 "Unambiguous" +872207.995237 327.1086872 "C15H20O8" "O8" "CHO" 15 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.11596365216 327.10854116424 0.445073620835881 0.45 327 326.743434717619 0.256565282380791 6 0.533333333333333 1.33333333333333 -2 25.2396782781846 23 0.9 32 0.6 328.1121979 74277.364182 0 0 0 0 "Unambiguous" +304491.949935 327.1241403 "C19H20O5" "O5" "CHO" 19 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.13141675216 327.12379729734 1.04532099799015 1.05 327 326.75887056255 0.241129437450297 10 0.263157894736842 1.05263157894737 5 25.2408518268846 24 1 40 0.5 328.1277674 15157.409717 0 0 0 0 "Unambiguous" +682680.679403 327.1451554 "C16H24O7" "O7" "CHO" 16 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.15243185216 327.14492666954 0.697025034208154 0.7 327 326.779862196901 0.22013780309868 5 0.4375 1.5 -2 25.2424771632077 23 0.9 34 0.7 328.1483932 70179.611966 0 0 0 0 "Unambiguous" +138828.826544 327.1604678 "C20H24O4" "O4" "CHO" 20 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.16774425216 327.16018280264 0.868450251358874 0.87 327 326.795157498939 0.204842501061364 9 0.2 1.2 5 25.2436507119077 24 1 42 0.6 328.1640769 2423.896181 0 0 0 0 "Unambiguous" +410195.395808 327.1813747 "C17H28O6" "O6" "CHO" 17 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.18865115216 327.18131217484 0.19051591141388 0.19 327 326.816041054107 0.183958945892641 4 0.352941176470588 1.64705882352941 -2 25.2452760482308 23 0.9 36 0.8 328.1849068 28333.681583 0 0 0 0 "Unambiguous" +5161.255559 327.1970583 "C21H28O3" "O3" "CHO" 21 28 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.20433475216 327.19656830794 1.49294816712583 1.49 327 326.831707141659 0.168292858340521 8 0.142857142857143 1.33333333333333 5 25.2464495969308 24 1 44 0.6 0 0 0 0 0 0 "Unambiguous" +238664.389635 327.2180096 "C18H32O5" "O5" "CHO" 18 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.22528605216 327.21769768014 0.950322456275956 0.95 327 326.852635047251 0.147364952749228 3 0.277777777777778 1.77777777777778 -2 25.2480749332538 23 0.9 38 0.8 328.2212483 8865.761413 0 0 0 0 "Unambiguous" +135472.748833 327.2543528 "C19H36O4" "O4" "CHO" 19 36 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.26162925216 327.25408318544 0.821340467435713 0.82 327 326.888937666109 0.111062333891084 2 0.210526315789474 1.89473684210526 -2 25.2508738182769 23 0.9 40 0.9 328.257845 9729.94292 0 0 0 0 "Unambiguous" +100234.874739 327.2904419 "C20H40O3" "O3" "CHO" 20 40 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 328.29771835216 327.29046869074 -0.0816050142374261 0.08 327 326.924986468698 0.0750135313024884 1 0.15 2 -2 25.2536727033 23 0.9 42 1 0 0 0 0 0 0 "Unambiguous" +34497.176722 329.0152306 "C12H10O11" "O11" "CHO" 12 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.02250705216 329.01503471214 0.593559093141398 0.59 329 328.647849254227 0.352150745773486 8 0.916666666666667 0.833333333333333 -3 25.3863316280231 23 0.9 26 0.4 0 0 0 0 0 0 "Unambiguous" +332250.227883 329.0306679 "C16H10O8" "O8" "CHO" 16 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.03794435216 329.03029084524 1.14245881863223 1.14 329 328.663269316799 0.336730683200528 12 0.5 0.625 4 25.3875051767231 24 0.9 34 0.3 330.0336242 8067.297302 0 0 0 0 "Unambiguous" +635608.723021 329.05166 "C13H14O10" "O10" "CHO" 13 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.05893645216 329.05142021744 0.726484071753513 0.73 329 328.684237976833 0.31576202316694 7 0.769230769230769 1.07692307692308 -3 25.3891305130462 23 0.9 28 0.5 330.0552185 35956.101333 0 0 0 0 "Unambiguous" +862842.057906 329.0669255 "C17H14O7" "O7" "CHO" 17 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.07420195216 329.06667635054 0.75482863723592 0.75 329 328.699486431239 0.300513568760607 11 0.411764705882353 0.823529411764706 4 25.3903040617462 24 0.9 36 0.4 330.0702372 92015.019478 0 0 0 0 "Unambiguous" +802877.530593 329.0879872 "C14H18O9" "O9" "CHO" 14 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.09526365216 329.08780572274 0.549772383906105 0.55 329 328.720524613557 0.279475386443039 6 0.642857142857143 1.28571428571429 -3 25.3919293980692 23 0.9 30 0.6 330.0911858 61274.713061 0 0 0 0 "Unambiguous" +633704.188301 329.103265 "C18H18O6" "O6" "CHO" 18 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.11054145216 329.10306185584 0.615382226606791 0.62 329 328.735785354229 0.264214645770949 10 0.333333333333333 1 4 25.3931029467692 24 0.9 38 0.5 330.1065463 60647.272137 0 0 0 0 "Unambiguous" +687037.300021 329.124386 "C15H22O8" "O8" "CHO" 15 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.13166245216 329.12419122804 0.589982671091079 0.59 329 328.756882770332 0.243117229668258 5 0.533333333333333 1.46666666666667 -3 25.3947282830923 23 0.9 32 0.7 330.1280307 48433.498611 0 0 0 0 "Unambiguous" +542817.285816 329.1396792 "C19H22O5" "O5" "CHO" 19 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.14695565216 329.13944736114 0.702229283067963 0.7 329 328.772158893808 0.227841106192045 9 0.263157894736842 1.15789473684211 4 25.3959018317923 24 0.9 40 0.6 330.1431726 31985.434983 0 0 0 0 "Unambiguous" +486950.01599 329.160756 "C16H26O7" "O7" "CHO" 16 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.16803245216 329.16057673334 0.542955835707681 0.54 329 328.793212159265 0.206787840735217 4 0.4375 1.625 -3 25.3975271681154 23 0.9 34 0.8 330.1640315 28068.107444 0 0 0 0 "Unambiguous" +765387.87869 329.1760075 "C20H26O4" "O4" "CHO" 20 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.18328395216 329.17583286644 0.528898852488717 0.53 329 328.808446629304 0.19155337069634 8 0.2 1.3 4 25.3987007168154 24 0.9 42 0.6 330.179667 106122.869555 0 0 0 0 "Unambiguous" +315515.305919 329.1971959 "C17H30O6" "O6" "CHO" 17 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.20447235216 329.19696223864 0.707626272785863 0.71 329 328.829611370147 0.170388629853051 3 0.352941176470588 1.76470588235294 -3 25.4003260531385 23 0.9 36 0.8 330.2006939 6746.562698 0 0 0 0 "Unambiguous" +130186.139654 329.2336082 "C18H34O5" "O5" "CHO" 18 34 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.24088465216 329.23334774394 0.788685084462316 0.79 329 328.865983011847 0.134016988152553 2 0.277777777777778 1.88888888888889 -3 25.4031249381615 23 0.9 38 0.9 0 0 0 0 0 0 "Unambiguous" +3339.802005 329.2702493 "C19H38O4" "O4" "CHO" 19 38 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 330.27752575216 329.26973324924 1.56247615943205 1.56 329 328.902583198068 0.0974168019321269 1 0.210526315789474 2 -3 25.4059238231846 23 0.9 40 0.9 0 0 0 0 0 0 "Unambiguous" +60940.532277 331.0097912 "C15H8O9" "O9" "CHO" 15 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.01706765216 331.00955540374 0.710193188678947 0.71 331 330.640182710042 0.359817289958016 12 0.6 0.533333333333333 3 25.5397562966077 24 0.9 32 0.2 0 0 0 0 0 0 "Unambiguous" +132686.056891 331.0308608 "C12H12O11" "O11" "CHO" 12 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.03813725216 331.03068477594 0.530132054911892 0.53 331 330.661228783538 0.338771216461566 7 0.916666666666667 1 -4 25.5413816329308 23 0.9 26 0.5 0 0 0 0 0 0 "Unambiguous" +633715.83711 331.0462447 "C16H12O8" "O8" "CHO" 16 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.05352115216 331.04594090904 0.914885524929191 0.91 331 330.676595505738 0.323404494261808 11 0.5 0.75 3 25.5425551816308 24 0.9 34 0.4 332.0494102 56503.025658 0 0 0 0 "Unambiguous" +672986.686849 331.067265 "C13H16O10" "O10" "CHO" 13 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.07454145216 331.06707028124 0.586370635914077 0.59 331 330.697592334283 0.302407665716544 6 0.769230769230769 1.23076923076923 -4 25.5441805179538 23 0.9 28 0.6 332.0706687 47937.881126 0 0 0 0 "Unambiguous" +904960.42287 331.0825718 "C17H16O7" "O7" "CHO" 17 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.08984825216 331.08232641434 0.738913463544593 0.74 331 330.712882042574 0.287117957426176 10 0.411764705882353 0.941176470588235 3 25.5453540666538 24 0.9 36 0.4 332.0857285 122681.341147 0 0 0 0 "Unambiguous" +520098.723078 331.103672 "C14H20O9" "O9" "CHO" 14 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.11094845216 331.10345578654 0.651027799682291 0.65 331 330.733958681902 0.266041318097962 5 0.642857142857143 1.42857142857143 -4 25.5469794029769 23 0.9 30 0.7 332.1070841 37429.559881 0 0 0 0 "Unambiguous" +831956.31962 331.1189084 "C18H20O6" "O6" "CHO" 18 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.12618485216 331.11871191964 0.591583467218767 0.59 331 330.749178068802 0.250821931198345 9 0.333333333333333 1.11111111111111 3 25.5481529516769 24 0.9 38 0.5 332.1224489 109354.759558 0 0 0 0 "Unambiguous" +371379.42764 331.1399884 "C15H24O8" "O8" "CHO" 15 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.14726485216 331.13984129184 0.442900410588504 0.44 331 330.770234530685 0.229765469314657 4 0.533333333333333 1.6 -4 25.549778288 23 0.9 32 0.8 332.1432128 11157.744892 0 0 0 0 "Unambiguous" +624969.626897 331.1552533 "C19H24O5" "O5" "CHO" 19 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.16252975216 331.15509742494 0.469273461282714 0.47 331 330.785482385762 0.214517614238332 8 0.263157894736842 1.26315789473684 3 25.5509518367 24 0.9 40 0.6 332.1588214 70096.25073 0 0 0 0 "Unambiguous" +189967.839005 331.1762938 "C16H28O7" "O7" "CHO" 16 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.18357025216 331.17622679714 0.20170431659304 0.2 331 330.806499391751 0.193500608248655 3 0.4375 1.75 -4 25.5525771730231 23 0.9 34 0.8 332.1801116 5039.754709 0 0 0 0 "Unambiguous" +210213.406634 331.1916417 "C20H28O4" "O4" "CHO" 20 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.19891815216 331.19148293024 0.477935812900226 0.48 331 330.821830154149 0.178169845850903 7 0.2 1.4 3 25.5537507217231 24 0.9 42 0.7 332.1948464 15924.041196 0 0 0 0 "Unambiguous" +34569.846116 331.2129988 "C17H32O6" "O6" "CHO" 17 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 332.22027525216 331.21261230244 1.16337739980923 1.16 331 330.84316340662 0.15683659337958 2 0.352941176470588 1.88235294117647 -4 25.5553760580462 23 0.9 36 0.9 0 0 0 0 0 0 "Unambiguous" +260713.717845 333.0254567 "C15H10O9" "O9" "CHO" 15 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.03273315216 333.02520546754 0.752119283775952 0.75 333 332.653597499938 0.346402500062425 11 0.6 0.666666666666667 2 25.6948063015154 24 0.9 32 0.3 334.029048 4442.367861 0 0 0 0 "Unambiguous" +226268.568178 333.0465172 "C12H14O11" "O11" "CHO" 12 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.05379365216 333.04633483974 0.545900880228561 0.55 333 332.674634483595 0.325365516404929 6 0.916666666666667 1.16666666666667 -5 25.6964316378385 23 0.9 26 0.5 0 0 0 0 0 0 "Unambiguous" +971409.645275 333.0618564 "C16H14O8" "O8" "CHO" 16 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.06913285216 333.06159097284 0.794527640839183 0.79 333 332.689956555707 0.31004344429266 10 0.5 0.875 2 25.6976051865385 24 0.9 34 0.4 334.0649532 103049.87063 0 0 0 0 "Unambiguous" +17788.350715 333.0771431 "C20H14O5" "O5" "CHO" 20 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.08441955216 333.07684710594 0.885985824845336 0.89 333 332.705226186442 0.294773813558436 14 0.25 0.7 9 25.6987787352385 25 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +423908.504892 333.0828598 "C13H18O10" "O10" "CHO" 13 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.09013625216 333.08272034504 0.417417172373445 0.42 333 332.710936503123 0.289063496876736 5 0.769230769230769 1.38461538461538 -5 25.6992305228615 23 0.9 28 0.6 334.0862859 19571.808612 335.0886484 4948.44428 0 0 "Unambiguous" +924921.366499 333.0981965 "C17H18O7" "O7" "CHO" 17 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.10547295216 333.09797647814 0.658540125243223 0.66 333 332.726256078027 0.273743921972994 9 0.411764705882353 1.05882352941176 2 25.7004040715615 24 0.9 36 0.5 334.1015826 150267.275886 0 0 0 0 "Unambiguous" +3232.43912 333.1138699 "C21H18O4" "O4" "CHO" 21 18 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.12114635216 333.11323261124 1.90735835478066 1.91 333 332.741911976969 0.258088023031405 13 0.19047619047619 0.857142857142857 9 25.7015776202615 25 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +188932.229977 333.1190506 "C14H22O9" "O9" "CHO" 14 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.12632705216 333.11910585034 -0.165357637416348 0.17 333 332.747086892153 0.252913107847348 4 0.642857142857143 1.57142857142857 -5 25.7020294078846 23 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +833424.501595 333.1345415 "C18H22O6" "O6" "CHO" 18 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.14181795216 333.13436198344 0.537246613202846 0.54 333 332.762560494875 0.237439505124655 8 0.333333333333333 1.22222222222222 2 25.7032029565846 24 0.9 38 0.6 334.1379993 102329.499064 0 0 0 0 "Unambiguous" +24616.592342 333.1556904 "C15H26O8" "O8" "CHO" 15 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.16296685216 333.15549135564 0.595650565111453 0.6 333 332.783685779825 0.21631422017532 3 0.533333333333333 1.73333333333333 -5 25.7048282929077 23 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +601775.618475 333.1709541 "C19H26O5" "O5" "CHO" 19 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.17823055216 333.17074748874 0.618266664679164 0.62 333 332.798932436241 0.201067563759068 7 0.263157894736842 1.36842105263158 2 25.7060018416077 24 0.9 40 0.7 334.1744656 99761.822203 0 0 0 0 "Unambiguous" +71496.866273 333.207435 "C20H30O4" "O4" "CHO" 20 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 334.21471145216 333.20713299404 0.903628564523383 0.9 333 332.835372601342 0.164627398657956 6 0.2 1.5 2 25.7088007266308 24 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +29382.497051 335.004609 "C14H8O10" "O10" "CHO" 14 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.01188545216 335.00447002604 0.413598345882695 0.41 335 334.630539860798 0.369460139201522 11 0.714285714285714 0.571428571428571 1 25.8470574214 24 0.9 30 0.3 0 0 0 0 0 0 "Unambiguous" +579730.868703 335.0411157 "C15H12O9" "O9" "CHO" 15 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.04839215216 335.04085553134 0.774199984573344 0.77 335 334.667005797091 0.332994202908935 10 0.6 0.8 1 25.8498563064231 24 0.9 32 0.4 336.0446812 42715.482698 0 0 0 0 "Unambiguous" +42013.263196 335.0566251 "C19H12O6" "O6" "CHO" 19 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.06390155216 335.05611166444 1.52779146366569 1.53 335 334.682497879157 0.317502120843471 14 0.315789473684211 0.631578947368421 8 25.8510298551231 25 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +236300.71736 335.0620585 "C12H16O11" "O11" "CHO" 12 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.06933495216 335.06198490354 0.218991893554254 0.22 335 334.687925212173 0.312074787826532 5 0.916666666666667 1.33333333333333 -6 25.8514816427462 23 0.9 26 0.6 0 0 0 0 0 0 "Unambiguous" +1151197.465786 335.0774452 "C16H16O8" "O8" "CHO" 16 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.08472165216 335.07724103664 0.607475874001711 0.61 335 334.703294731247 0.296705268753158 9 0.5 1 1 25.8526551914462 24 0.9 34 0.5 336.0808986 148487.419853 0 0 0 0 "Unambiguous" +49009.505102 335.0927746 "C20H16O5" "O5" "CHO" 20 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.10005105216 335.09249716974 0.825439505635652 0.83 335 334.718607014302 0.281392985698176 13 0.25 0.8 8 25.8538287401462 25 1 42 0.4 0 0 0 0 0 0 "Unambiguous" +93383.484716 335.0984431 "C13H20O10" "O10" "CHO" 13 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.10571955216 335.09837040884 0.216274689181212 0.22 335 334.724269184804 0.275730815195914 4 0.769230769230769 1.53846153846154 -6 25.8542805277692 23 0.9 28 0.7 0 0 0 0 0 0 "Unambiguous" +818343.409914 335.1138265 "C17H20O7" "O7" "CHO" 17 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.12110295216 335.11362654194 0.594898857187105 0.59 335 334.739635407562 0.260364592437725 8 0.411764705882353 1.17647058823529 1 25.8554540764692 24 0.9 36 0.6 336.1173109 94695.695638 0 0 0 0 "Unambiguous" +2851.303408 335.1287716 "C21H20O4" "O4" "CHO" 21 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.13604805216 335.12888267504 -0.33044667677878 0.33 335 334.75456381973 0.245436180269962 12 0.19047619047619 0.952380952380952 8 25.8566276251692 25 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +623799.784599 335.1502313 "C18H24O6" "O6" "CHO" 18 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.15750775216 335.15001204724 0.652232227172115 0.65 335 334.775999557637 0.224000442362694 7 0.333333333333333 1.33333333333333 1 25.8582529614923 24 0.9 38 0.6 336.1536858 91894.325006 0 0 0 0 "Unambiguous" +253721.972646 335.1866617 "C19H28O5" "O5" "CHO" 19 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.19393815216 335.18639755254 0.785699651461325 0.79 335 334.812389279127 0.187610720872726 6 0.263157894736842 1.47368421052632 1 25.8610518465154 24 0.9 40 0.7 336.1903925 18761.523324 0 0 0 0 "Unambiguous" +21680.577927 335.2229793 "C20H32O4" "O4" "CHO" 20 32 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 336.23025575216 335.22278305784 0.583654078335895 0.58 335 334.848666326571 0.151333673429349 5 0.2 1.6 1 25.8638507315385 24 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +150940.475429 337.0204644 "C14H10O10" "O10" "CHO" 14 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.02774085216 337.02012008984 1.01858551340213 1.02 337 336.64414433865 0.355855661350006 10 0.714285714285714 0.714285714285714 0 26.0021074263077 24 0.9 30 0.3 0 0 0 0 0 0 "Unambiguous" +53931.342675 337.0357063 "C18H10O7" "O7" "CHO" 18 10 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.04298275216 337.03537622294 0.976435177977451 0.98 337 336.659369219408 0.340630780591709 14 0.388888888888889 0.555555555555556 7 26.0032809750077 25 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +1042119.503352 337.0567589 "C15H14O9" "O9" "CHO" 15 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.06403535216 337.05650559514 0.749280708703262 0.75 337 336.680398311887 0.319601688112982 9 0.6 0.933333333333333 0 26.0049063113308 24 0.9 32 0.4 338.0601976 84727.290705 0 0 0 0 "Unambiguous" +150188.379079 337.0720235 "C19H14O6" "O6" "CHO" 19 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.07929995216 337.07176172824 0.774291002234347 0.77 337 336.695645867298 0.30435413270169 13 0.315789473684211 0.736842105263158 7 26.0060798600308 25 1 40 0.3 338.0755116 3784.716375 0 0 0 0 "Unambiguous" +31236.269782 337.0774467 "C12H18O11" "O11" "CHO" 12 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.08472315216 337.07763496734 -0.556864380690717 0.56 337 336.701063011705 0.298936988295225 4 0.916666666666667 1.5 -7 26.0065316476538 23 0.9 26 0.7 0 0 0 0 0 0 "Unambiguous" +915174.172103 337.093075 "C16H18O8" "O8" "CHO" 16 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.10035145216 337.09289110044 0.54392004980115 0.54 337 336.716673861005 0.283326138994653 8 0.5 1.125 0 26.0077051963538 24 0.9 34 0.5 338.0965223 104265.042312 0 0 0 0 "Unambiguous" +54420.222202 337.1082838 "C20H18O5" "O5" "CHO" 20 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.11556025216 337.10814723354 0.403904688422254 0.4 337 336.731865678723 0.268134321276591 12 0.25 0.9 7 26.0088787450538 25 1 42 0.4 0 0 0 0 0 0 "Unambiguous" +651417.763322 337.1295438 "C17H22O7" "O7" "CHO" 17 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.13682025216 337.12927660574 0.790195695947245 0.79 337 336.753101939618 0.246898060382478 7 0.411764705882353 1.29411764705882 0 26.0105040813769 24 0.9 36 0.6 338.1331257 89074.678446 0 0 0 0 "Unambiguous" +6645.502499 337.1448286 "C21H22O4" "O4" "CHO" 21 22 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.15210505216 337.14453273884 0.874935141841792 0.87 337 336.768369672473 0.231630327526773 11 0.19047619047619 1.04761904761905 7 26.0116776300769 25 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +443408.016823 337.1658526 "C18H26O6" "O6" "CHO" 18 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.17312905216 337.16566211104 0.563288279436652 0.56 337 336.789370196887 0.210629803112965 6 0.333333333333333 1.44444444444444 0 26.0133029664 24 0.9 38 0.7 338.1691633 35258.525869 0 0 0 0 "Unambiguous" +156749.120108 337.2022919 "C19H30O5" "O5" "CHO" 19 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.20956835216 337.20204761634 0.722284887359641 0.72 337 336.825768808439 0.174231191560921 5 0.263157894736842 1.57894736842105 0 26.0161018514231 24 0.9 40 0.8 338.2053961 6275.793121 0 0 0 0 "Unambiguous" +3734.88003 337.238748 "C20H34O4" "O4" "CHO" 20 34 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 338.24602445216 337.23843312164 0.930915183652709 0.93 337 336.862184201232 0.137815798767861 4 0.2 1.7 0 26.0189007364462 24 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +10371.60691 339.0149302 "C17H8O8" "O8" "CHO" 17 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.02220665216 339.01464078144 0.851175465381209 0.85 339 338.63638310032 0.363616899680039 14 0.470588235294118 0.470588235294118 6 26.1555320948923 25 1 36 0.2 0 0 0 0 0 0 "Unambiguous" +375264.014578 339.0359889 "C14H12O10" "O10" "CHO" 14 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.04326535216 339.03577015364 0.64328978782407 0.64 339 338.657418285987 0.342581714012567 9 0.714285714285714 0.857142857142857 -1 26.1571574312154 24 0.9 30 0.4 340.0394461 23251.171481 0 0 0 0 "Unambiguous" +242563.445688 339.0512755 "C18H12O7" "O7" "CHO" 18 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.05855195216 339.05102628674 0.732853970388616 0.73 339 338.672687816833 0.327312183166725 13 0.388888888888889 0.666666666666667 6 26.1583309799154 25 1 38 0.3 340.054123 12074.001896 0 0 0 0 "Unambiguous" +913922.285419 339.0723874 "C15H16O9" "O9" "CHO" 15 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.07966385216 339.07215565894 0.681431689842614 0.68 339 338.693776143097 0.306223856902818 8 0.6 1.06666666666667 -1 26.1599563162385 24 0.9 32 0.5 340.075705 96665.819147 0 0 0 0 "Unambiguous" +267886.580206 339.0876467 "C19H16O6" "O6" "CHO" 19 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.09492315216 339.08741179204 0.690712927566086 0.69 339 338.709018404426 0.290981595573555 12 0.315789473684211 0.842105263157895 6 26.1611298649385 25 1 40 0.4 340.0909636 12809.976808 0 0 0 0 "Unambiguous" +3449.223212 339.0923291 "C12H20O11" "O11" "CHO" 12 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.09960555216 339.09328503114 -2.81073874953398 2.81 339 338.713695576017 0.286304423983211 3 0.916666666666667 1.66666666666667 -8 26.1615816525615 23 0.9 26 0.8 0 0 0 0 0 0 "Unambiguous" +675067.526285 339.108777 "C16H20O8" "O8" "CHO" 16 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.11605345216 339.10854116424 0.693397908032203 0.69 339 338.730125110145 0.269874889855316 7 0.5 1.25 -1 26.1627552012615 24 0.9 34 0.6 340.1121376 85237.01082 0 0 0 0 "Unambiguous" +82309.338569 339.1238702 "C20H20O5" "O5" "CHO" 20 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.13114665216 339.12379729734 0.214336913058192 0.21 339 338.745201456943 0.254798543057234 11 0.25 1 6 26.1639287499615 25 1 42 0.5 0 0 0 0 0 0 "Unambiguous" +564261.073564 339.1451302 "C17H24O7" "O7" "CHO" 17 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.15240665216 339.14492666954 0.598350786348182 0.6 339 338.766437717837 0.233562282163177 6 0.411764705882353 1.41176470588235 -1 26.1655540862846 24 0.9 36 0.7 340.1486142 35539.845265 0 0 0 0 "Unambiguous" +7597.218018 339.1601306 "C21H24O4" "O4" "CHO" 21 24 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.16740705216 339.16018280264 -0.153461616027978 0.15 339 338.781421368256 0.21857863174381 10 0.19047619047619 1.14285714285714 6 26.1667276349846 25 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +370610.325397 339.1815136 "C18H28O6" "O6" "CHO" 18 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.18879005216 339.18131217484 0.592098169911888 0.59 339 338.802780491807 0.197219508192632 5 0.333333333333333 1.55555555555556 -1 26.1683529713077 24 0.9 38 0.7 340.1845985 13169.950552 0 0 0 0 "Unambiguous" +87026.096716 339.2180119 "C19H32O5" "O5" "CHO" 19 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.22528835216 339.21769768014 0.923564093605195 0.92 339 338.83923803748 0.160761962520439 4 0.263157894736842 1.68421052631579 -1 26.1711518563308 24 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +19645.045053 339.254588 "C20H36O4" "O4" "CHO" 20 36 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.26186445216 339.25408318544 1.48360604807724 1.48 339 338.87577329628 0.124226703720467 3 0.2 1.8 -1 26.1739507413538 24 0.9 42 0.9 0 0 0 0 0 0 "Unambiguous" +4802.325709 339.2903978 "C21H40O3" "O3" "CHO" 21 40 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.29767425216 339.29046869074 -0.208319789904867 0.21 339 338.911543110737 0.0884568892631137 2 0.142857142857143 1.9047619047619 -1 26.1767496263769 24 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +762323.111512 339.3270498 "C22H44O2" "O2" "CHO" 22 44 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 340.33432625216 339.32685419604 0.574740615013634 0.57 339 338.948154184786 0.05184581521371 1 0.0909090909090909 2 -1 26.1795485114 24 0.9 46 1 340.3304104 130558.300993 0 0 0 0 "Unambiguous" +31949.510203 341.0150011 "C13H10O11" "O11" "CHO" 13 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.02227755216 341.01503471214 -0.0982747095523496 0.1 341 340.634220703285 0.365779296714777 9 0.846153846153846 0.769230769230769 -2 26.3094085511 24 0.9 28 0.4 0 0 0 0 0 0 "Unambiguous" +163501.835166 341.0307461 "C17H10O8" "O8" "CHO" 17 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.03802255216 341.03029084524 1.33100629156128 1.33 341 340.649948122278 0.350051877722422 13 0.470588235294118 0.588235294117647 5 26.3105820998 25 1 36 0.3 342.034198 5207.147338 0 0 0 0 "Unambiguous" +552992.750428 341.0516409 "C14H14O10" "O10" "CHO" 14 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.05891735216 341.05142021744 0.645159499858446 0.65 341 340.670819590957 0.329180409042749 8 0.714285714285714 1 -2 26.3122074361231 24 0.9 30 0.5 0 0 0 0 0 0 "Unambiguous" +525532.520261 341.0669435 "C18H14O7" "O7" "CHO" 18 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.07421995216 341.06667635054 0.780969288004805 0.78 341 340.686105103937 0.313894896062664 12 0.388888888888889 0.777777777777778 5 26.3133809848231 25 1 38 0.4 342.0702755 41955.551987 0 0 0 0 "Unambiguous" +655962.84836 341.0880348 "C15H18O9" "O9" "CHO" 15 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.09531125216 341.08780572274 0.669629932055848 0.67 341 340.707172853203 0.29282714679664 7 0.6 1.2 -2 26.3150063211462 24 0.9 32 0.6 342.0913216 52286.018627 0 0 0 0 "Unambiguous" +312660.790571 341.1032152 "C19H18O6" "O6" "CHO" 19 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.11049165216 341.10306185584 0.44822992503192 0.45 341 340.722336302633 0.277663697366847 11 0.315789473684211 0.947368421052632 5 26.3161798698462 25 0.9 40 0.4 342.1065695 37992.525254 0 0 0 0 "Unambiguous" +613943.077704 341.124384 "C16H22O8" "O8" "CHO" 16 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.13166045216 341.12419122804 0.563443791713245 0.56 341 340.743481465362 0.256518534638076 6 0.5 1.375 -2 26.3178052061692 24 0.9 34 0.6 342.1277 65626.385891 0 0 0 0 "Unambiguous" +125073.376471 341.1395851 "C20H22O5" "O5" "CHO" 20 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.14686155216 341.13944736114 0.402572332226408 0.4 341 340.758665591678 0.241334408322189 10 0.25 1.1 5 26.3189787548692 25 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +427884.966628 341.1608291 "C17H26O7" "O7" "CHO" 17 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.16810555216 341.16057673334 0.737551676786136 0.74 341 340.779885870438 0.220114129562319 5 0.411764705882353 1.52941176470588 -2 26.3206040911923 24 0.9 36 0.7 342.1643794 46628.908521 0 0 0 0 "Unambiguous" +4636.441831 341.1763483 "C21H26O4" "O4" "CHO" 21 26 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.18362475216 341.17583286644 1.50630691434552 1.51 341 340.79538774156 0.204612258439738 9 0.19047619047619 1.23809523809524 5 26.3217776398923 25 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +232298.14164 341.1972102 "C18H30O6" "O6" "CHO" 18 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.20448665216 341.19696223864 0.724599967782103 0.72 341 340.816226346976 0.18377365302365 4 0.333333333333333 1.66666666666667 -2 26.3234029762154 24 0.9 38 0.8 342.2009076 3232.599537 0 0 0 0 "Unambiguous" +106329.766662 341.2336611 "C19H34O5" "O5" "CHO" 19 34 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.24093755216 341.23334774394 0.915600752675224 0.92 341 340.852636545576 0.14736345442418 3 0.263157894736842 1.78947368421053 -2 26.3262018612385 24 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +195936.010366 341.2699392 "C20H38O4" "O4" "CHO" 20 38 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 342.27721565216 341.26973324924 0.601707477410586 0.6 341 340.888874137125 0.111125862874701 2 0.2 1.9 -2 26.3290007462615 24 0.9 42 0.9 342.2731273 9661.13957 0 0 0 0 "Unambiguous" +18188.414808 343.0102255 "C16H8O9" "O9" "CHO" 16 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.01750195216 343.00955540374 1.94785514156718 1.95 343 342.627217217896 0.372782782104309 13 0.5625 0.5 4 26.4628332196846 25 0.9 34 0.2 0 0 0 0 0 0 "Unambiguous" +128599.356342 343.030784 "C13H12O11" "O11" "CHO" 13 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.03806045216 343.03068477594 0.288410124843036 0.29 343 342.647752762091 0.352247237909069 8 0.846153846153846 0.923076923076923 -3 26.4644585560077 24 0.9 28 0.4 0 0 0 0 0 0 "Unambiguous" +449945.545362 343.0462365 "C17H12O8" "O8" "CHO" 17 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.05351295216 343.04594090904 0.85914239764514 0.86 343 342.663188007691 0.336811992308583 12 0.470588235294118 0.705882352941177 4 26.4656321047077 25 0.9 36 0.3 344.0493305 12803.797815 0 0 0 0 "Unambiguous" +569722.960965 343.0672902 "C14H16O10" "O10" "CHO" 14 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.07456665216 343.06707028124 0.639160174388463 0.64 343 342.684218198942 0.315781801058108 7 0.714285714285714 1.14285714285714 -3 26.4672574410308 24 0.9 30 0.5 344.0709461 34371.354123 0 0 0 0 "Unambiguous" +773562.45588 343.0825631 "C18H16O7" "O7" "CHO" 18 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.08983955216 343.08232641434 0.687860066781941 0.69 343 342.699474045085 0.30052595491469 11 0.388888888888889 0.888888888888889 4 26.4684309897308 25 0.9 38 0.4 344.0857524 109834.336209 0 0 0 0 "Unambiguous" +564178.293007 343.1036591 "C15H20O9" "O9" "CHO" 15 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.11093555216 343.10345578654 0.590836962776075 0.59 343 342.720546489103 0.279453510896758 6 0.6 1.33333333333333 -3 26.4700563260538 24 0.9 32 0.6 344.1069009 57281.047984 345.1094041 2246.45552 0 0 "Unambiguous" +319917.606543 343.1189218 "C19H20O6" "O6" "CHO" 19 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.12619825216 343.11871191964 0.609893582805531 0.61 343 342.735792146636 0.264207853363928 10 0.315789473684211 1.05263157894737 4 26.4712298747538 25 0.9 40 0.5 344.1223404 27147.86951 0 0 0 0 "Unambiguous" +490294.011613 343.1400296 "C16H24O8" "O8" "CHO" 16 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.14730605216 343.13984129184 0.547173133903968 0.55 343 342.756876377478 0.243123622521978 5 0.5 1.5 -3 26.4728552110769 24 0.9 34 0.7 344.1435409 31054.366395 0 0 0 0 "Unambiguous" +237097.534284 343.1553486 "C20H24O5" "O5" "CHO" 20 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.16262505216 343.15509742494 0.72981504021619 0.73 343 342.772178272146 0.227821727854234 9 0.25 1.2 4 26.4740287597769 25 0.9 42 0.6 344.1586043 25267.676585 0 0 0 0 "Unambiguous" +316151.782753 343.1764602 "C17H28O7" "O7" "CHO" 17 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.18373665216 343.17622679714 0.6781344821906 0.68 343 342.793266298745 0.206733701255416 4 0.411764705882353 1.64705882352941 -3 26.4756540961 24 0.9 36 0.8 344.1802153 6171.889041 0 0 0 0 "Unambiguous" +11039.806264 343.1914921 "C21H28O4" "O4" "CHO" 21 28 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.19876855216 343.19148293024 0.0266408855676788 0.03 343 342.808281413991 0.191718586009245 8 0.19047619047619 1.33333333333333 4 26.4768276448 25 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +292073.864791 343.2128665 "C18H32O6" "O6" "CHO" 18 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.22014295216 343.21261230244 0.73847380878153 0.74 343 342.829631947145 0.170368052855224 3 0.333333333333333 1.77777777777778 -3 26.4784529811231 24 0.9 38 0.8 344.216294 7120.239802 0 0 0 0 "Unambiguous" +34190.985083 343.2495651 "C19H36O5" "O5" "CHO" 19 36 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 344.25684155216 343.24899780774 1.64787505012813 1.65 343 342.86628956916 0.133710430839869 2 0.263157894736842 1.89473684210526 -3 26.4812518661461 24 0.9 40 0.9 0 0 0 0 0 0 "Unambiguous" +165100.077768 345.0255968 "C16H10O9" "O9" "CHO" 16 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.03287325216 345.02520546754 1.13091122339997 1.13 345 344.640338136298 0.359661863702343 12 0.5625 0.625 3 26.6178832245923 25 0.9 34 0.3 346.0281538 2176.10822 0 0 0 0 "Unambiguous" +263604.712005 345.0466348 "C13H14O11" "O11" "CHO" 13 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.05391125216 345.04633483974 0.866802108732343 0.87 345 344.661352645079 0.338647354921136 7 0.846153846153846 1.07692307692308 -4 26.6195085609154 24 0.9 28 0.5 346.0493722 2930.782247 0 0 0 0 "Unambiguous" +642026.081301 345.0618816 "C17H14O8" "O8" "CHO" 17 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.06915805216 345.06159097284 0.839795032934618 0.84 345 344.676582420366 0.323417579634224 11 0.470588235294118 0.823529411764706 3 26.6206821096154 25 0.9 36 0.4 346.0656063 46690.492038 0 0 0 0 "Unambiguous" +5403.825432 345.0768608 "C21H14O5" "O5" "CHO" 21 14 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.08413725216 345.07684710594 0.0395685862775249 0.04 345 344.691544894457 0.308455105542748 15 0.238095238095238 0.666666666666667 10 26.6218556583154 26 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +470319.751755 345.0829252 "C14H18O10" "O10" "CHO" 14 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.09020165216 345.08272034504 0.591912047775337 0.59 345 344.697602522894 0.302397477106013 6 0.714285714285714 1.28571428571429 -4 26.6223074459385 24 0.9 30 0.6 346.0866782 24901.925584 0 0 0 0 "Unambiguous" +567119.377972 345.0982195 "C18H18O7" "O7" "CHO" 18 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.10549595216 345.09797647814 0.70216122800769 0.7 345 344.712879745142 0.287120254857939 10 0.388888888888889 1 3 26.6234809946385 25 0.9 38 0.5 346.1014867 55243.048893 0 0 0 0 "Unambiguous" +398909.844632 345.119322 "C15H22O9" "O9" "CHO" 15 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.12659845216 345.11910585034 0.624481507511003 0.62 345 344.733958681902 0.266041318097962 5 0.6 1.46666666666667 -4 26.6251063309615 24 0.9 32 0.7 346.1225103 26145.036004 0 0 0 0 "Unambiguous" +576658.521234 345.1344987 "C19H22O6" "O6" "CHO" 19 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.14177515216 345.13436198344 0.39497272453504 0.39 345 344.749118435463 0.250881564536826 9 0.315789473684211 1.15789473684211 3 26.6262798796615 25 0.9 40 0.6 346.1380563 69753.597751 0 0 0 0 "Unambiguous" +257276.299387 345.1556991 "C16H26O8" "O8" "CHO" 16 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.16297555216 345.15549135564 0.600134545527593 0.6 345 344.770295162907 0.229704837092868 4 0.5 1.625 -4 26.6279052159846 24 0.9 34 0.8 346.1591567 11635.429127 0 0 0 0 "Unambiguous" +379728.455633 345.1710099 "C20H26O5" "O5" "CHO" 20 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.17828635216 345.17074748874 0.758023453062845 0.76 345 344.785588866731 0.214411133268925 8 0.25 1.3 3 26.6290787646846 25 0.9 42 0.6 346.1742824 28527.007334 0 0 0 0 "Unambiguous" +140711.879035 345.1923987 "C17H30O7" "O7" "CHO" 17 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.19967515216 345.19187686094 1.50733549875258 1.51 345 344.806953783806 0.193046216194034 3 0.411764705882353 1.76470588235294 -4 26.6307041010077 24 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +3904.835473 345.2075761 "C21H30O4" "O4" "CHO" 21 30 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.21485255216 345.20713299404 1.27985832119351 1.28 345 344.822114236585 0.177885763414508 7 0.19047619047619 1.42857142857143 3 26.6318776497077 25 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +16591.591376 345.2282336 "C18H34O6" "O6" "CHO" 18 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 346.23551005216 345.22826236624 -0.0830828703924188 0.08 345 344.842748670236 0.15725132976354 2 0.333333333333333 1.88888888888889 -4 26.6335029860308 24 0.9 38 0.9 0 0 0 0 0 0 "Unambiguous" +5773.052715 347.0050196 "C15H8O10" "O10" "CHO" 15 8 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.01229605216 347.00447002604 1.57917971940515 1.58 347 346.617550695116 0.382449304884176 12 0.666666666666667 0.533333333333333 2 26.7701343444769 25 0.9 32 0.2 0 0 0 0 0 0 "Unambiguous" +5435.8858 347.0255756 "C12H12O12" "O12" "CHO" 12 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.03285205216 347.02559939824 -0.0683792918542587 0.07 347 346.638083742103 0.361916257897406 7 1 1 -5 26.7717596808 24 0.9 26 0.5 0 0 0 0 0 0 "Unambiguous" +383375.788923 347.0411303 "C16H12O9" "O9" "CHO" 16 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.04840675216 347.04085553134 0.789455301999061 0.79 347 346.653621073586 0.346378926414388 11 0.5625 0.75 2 26.7729332295 25 0.9 34 0.4 348.0446158 24867.784887 0 0 0 0 "Unambiguous" +5229.488901 347.0561288 "C20H12O6" "O6" "CHO" 20 12 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.06340525216 347.05611166444 0.0492311451595361 0.05 347 346.668602826127 0.331397173873484 15 0.3 0.6 9 26.7741067782 26 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +333092.438796 347.0621841 "C13H16O11" "O11" "CHO" 13 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.06946055216 347.06198490354 0.572289392345383 0.57 347 346.674651364724 0.325348635275532 6 0.846153846153846 1.23076923076923 -5 26.7745585658231 24 0.9 28 0.6 348.0660713 15687.881466 0 0 0 0 "Unambiguous" +768627.584573 347.0774896 "C17H16O8" "O8" "CHO" 17 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.08476605216 347.07724103664 0.714088590610343 0.71 347 346.689939774466 0.310060225533618 10 0.470588235294118 0.941176470588235 2 26.7757321145231 25 0.9 36 0.4 348.0809252 50714.050709 0 0 0 0 "Unambiguous" +8752.186697 347.0926563 "C21H16O5" "O5" "CHO" 21 16 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.09993275216 347.09249716974 0.457139588421015 0.46 347 346.705089539194 0.294910460806364 14 0.238095238095238 0.761904761904762 9 26.7769056632231 26 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +302622.771603 347.098662 "C14H20O10" "O10" "CHO" 14 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.10593845216 347.09837040884 0.837650633935599 0.84 347 346.711088533175 0.288911466824629 5 0.714285714285714 1.42857142857143 -5 26.7773574508462 24 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +678413.989435 347.1138555 "C18H20O7" "O7" "CHO" 18 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.12113195216 347.11362654194 0.657696528568679 0.66 347 346.726265067978 0.273734932022421 9 0.388888888888889 1.11111111111111 2 26.7785309995462 25 0.9 38 0.5 348.1168642 123533.747915 0 0 0 0 "Unambiguous" +159416.120421 347.1349663 "C15H24O9" "O9" "CHO" 15 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.14224275216 347.13475591414 0.604310061093175 0.6 347 346.74735229547 0.252647704530318 4 0.6 1.6 -5 26.7801563358692 24 0.9 32 0.8 348.1381601 3452.830279 0 0 0 0 "Unambiguous" +591156.194539 347.1501438 "C19H24O6" "O6" "CHO" 19 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.15742025216 347.15001204724 0.378428700203432 0.38 347 346.762512848138 0.237487151862354 8 0.315789473684211 1.26315789473684 2 26.7813298845692 25 0.9 40 0.6 348.1537556 78478.352312 0 0 0 0 "Unambiguous" +14254.360264 347.1710123 "C16H28O8" "O8" "CHO" 16 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.17828875216 347.17114141944 -0.370842881947371 0.37 347 346.783358046184 0.216641953815952 3 0.5 1.75 -5 26.7829552208923 24 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +201414.765573 347.1865016 "C20H28O5" "O5" "CHO" 20 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 348.19377805216 347.18639755254 0.298820560767023 0.3 347 346.798830050693 0.201169949306689 7 0.25 1.4 2 26.7841287695923 25 0.9 42 0.7 348.1896341 10488.579064 0 0 0 0 "Unambiguous" +101483.192829 349.0203324 "C15H10O10" "O10" "CHO" 15 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.02760885216 349.02012008984 0.606552610659749 0.61 349 348.630613178839 0.369386821160674 11 0.666666666666667 0.666666666666667 1 26.9251843493846 25 0.9 32 0.3 350.0242379 2691.232135 0 0 0 0 "Unambiguous" +24708.582976 349.041235 "C12H14O12" "O12" "CHO" 12 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.04851145216 349.04124946204 -0.0413143880600078 0.04 349 348.651492438809 0.348507561190559 6 1 1.16666666666667 -6 26.9268096857077 24 0.9 26 0.5 0 0 0 0 0 0 "Unambiguous" +713597.032343 349.0567456 "C16H14O9" "O9" "CHO" 16 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.06402205216 349.05650559514 0.685602760920688 0.69 349 348.666985719535 0.333014280465079 10 0.5625 0.875 1 26.9279832344077 25 0.9 34 0.4 350.0599497 63328.436043 0 0 0 0 "Unambiguous" +59439.994794 349.0721267 "C20H14O6" "O6" "CHO" 20 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.07940315216 349.07176172824 1.04253994014125 1.04 349 348.682349644861 0.31765035513871 14 0.3 0.7 8 26.9291567831077 26 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +180692.882942 349.0778486 "C13H18O11" "O11" "CHO" 13 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.08512505216 349.07763496734 0.610230611697068 0.61 349 348.688065155737 0.311934844263419 5 0.846153846153846 1.38461538461538 -6 26.9296085707308 24 0.9 28 0.6 0 0 0 0 0 0 "Unambiguous" +819992.127449 349.0931068 "C17H18O8" "O8" "CHO" 17 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.10038325216 349.09289110044 0.616107751679358 0.62 349 348.703306318294 0.296693681705847 9 0.470588235294118 1.05882352941176 1 26.9307821194308 25 0.9 36 0.5 350.0964621 83097.334727 0 0 0 0 "Unambiguous" +4050.312656 349.108589 "C21H18O5" "O5" "CHO" 21 18 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.11586545216 349.10814723354 1.26177218349624 1.26 349 348.718771230731 0.281228769268637 13 0.238095238095238 0.857142857142857 8 26.9319556681308 26 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +53384.324684 349.1142719 "C14H22O10" "O10" "CHO" 14 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.12154835216 349.11402047264 0.718114498225117 0.72 349 348.724447785154 0.275552214845561 4 0.714285714285714 1.57142857142857 -6 26.9324074557538 24 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +618518.684354 349.1295134 "C18H22O7" "O7" "CHO" 18 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.13678985216 349.12927660574 0.676290715095463 0.68 349 348.739672266359 0.260327733640622 8 0.388888888888889 1.22222222222222 1 26.9335810044538 25 0.9 38 0.6 350.1326284 58272.756342 0 0 0 0 "Unambiguous" +2689.899655 349.1511124 "C15H26O9" "O9" "CHO" 15 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.15838885216 349.15040597794 2.01743577342191 2.02 349 348.761247148723 0.238752851277013 3 0.6 1.73333333333333 -6 26.9352063407769 24 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +499550.119245 349.1658311 "C19H26O6" "O6" "CHO" 19 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.17310755216 349.16566211104 0.482586915923483 0.48 349 348.775949413691 0.22405058630892 7 0.315789473684211 1.36842105263158 1 26.9363798894769 25 0.9 40 0.7 350.1692092 51985.331207 0 0 0 0 "Unambiguous" +174723.035683 349.2023055 "C20H30O5" "O5" "CHO" 20 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 350.20958195216 349.20204761634 0.736369515045607 0.74 349 348.81238308605 0.187616913949739 6 0.25 1.5 1 26.9391787745 25 0.9 42 0.7 350.2057181 6771.682877 0 0 0 0 "Unambiguous" +284549.983435 351.0359852 "C15H12O10" "O10" "CHO" 15 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.04326165216 351.03577015364 0.610852084004903 0.61 351 350.644015282916 0.355984717084084 10 0.666666666666667 0.8 0 27.0802343542923 25 0.9 32 0.4 352.039062 13888.46518 0 0 0 0 "Unambiguous" +49169.815838 351.0512475 "C19H12O7" "O7" "CHO" 19 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.05852395216 351.05102628674 0.628342292336184 0.63 351 350.659260540895 0.340739459104668 14 0.368421052631579 0.631578947368421 7 27.0814079029923 26 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +23085.039687 351.0568088 "C12H16O12" "O12" "CHO" 12 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.06408525216 351.05689952584 -0.257696947182389 0.26 351 350.664815631098 0.335184368901935 5 1 1.33333333333333 -7 27.0818596906154 24 0.9 26 0.6 0 0 0 0 0 0 "Unambiguous" +929055.877991 351.0724011 "C16H16O9" "O9" "CHO" 16 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.07967755216 351.07215565894 0.697117941257959 0.7 351 350.680390520597 0.319609479403425 9 0.5625 1 0 27.0830332393154 25 0.9 34 0.5 352.0759163 88312.536503 353.078887 3328.084564 0 0 "Unambiguous" +101822.771758 351.0877445 "C20H16O6" "O6" "CHO" 20 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.09502095216 351.08741179204 0.944937985933561 0.94 351 350.695716788019 0.30428321198093 13 0.3 0.8 7 27.0842067880154 26 1 42 0.4 0 0 0 0 0 0 "Unambiguous" +14278.899176 351.0929697 "C13H20O11" "O11" "CHO" 13 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.10024615216 351.09328503114 -0.895572052047276 0.9 351 350.700936153514 0.299063846485865 4 0.846153846153846 1.53846153846154 -7 27.0846585756385 24 0.9 28 0.7 0 0 0 0 0 0 "Unambiguous" +663833.884306 351.1087098 "C17H20O8" "O8" "CHO" 17 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.11598625216 351.10854116424 0.478921055977374 0.48 351 350.716658677978 0.283341322022181 8 0.470588235294118 1.17647058823529 0 27.0858321243385 25 0.9 36 0.6 352.1119395 37766.428717 0 0 0 0 "Unambiguous" +7640.871174 351.1239139 "C21H20O5" "O5" "CHO" 21 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.13119035216 351.12379729734 0.331134143169031 0.33 351 350.731845800944 0.268154199056085 12 0.238095238095238 0.952380952380952 7 27.0870056730385 26 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +520420.293087 351.1451386 "C18H24O7" "O7" "CHO" 18 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.15241505216 351.14492666954 0.601814586391674 0.6 351 350.753046801254 0.2469531987457 7 0.388888888888889 1.33333333333333 0 27.0886310093615 25 0.9 38 0.6 352.1484337 68940.176051 0 0 0 0 "Unambiguous" +302865.549513 351.1814916 "C19H28O6" "O6" "CHO" 19 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.18876805216 351.18131217484 0.509457360055706 0.51 351 350.78935920917 0.210640790830269 6 0.315789473684211 1.47368421052632 0 27.0914298943846 25 0.9 40 0.7 352.1847647 22802.734188 0 0 0 0 "Unambiguous" +40798.677225 351.2179553 "C20H32O5" "O5" "CHO" 20 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 352.22523175216 351.21769768014 0.731406602484054 0.73 351 350.825782193477 0.174217806523416 5 0.25 1.6 0 27.0942287794077 25 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +30594.826457 353.015518 "C14H10O11" "O11" "CHO" 14 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.02279445216 353.01503471214 1.36513204111791 1.37 353 352.621337718907 0.378662281092943 10 0.785714285714286 0.714285714285714 -1 27.2324854741769 25 0.9 30 0.3 0 0 0 0 0 0 "Unambiguous" +30216.52026 353.0305764 "C18H10O8" "O8" "CHO" 18 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.03785285216 353.03029084524 0.80656561905661 0.81 353 352.636379304563 0.363620695436907 14 0.444444444444444 0.555555555555556 6 27.2336590228769 26 1 38 0.3 0 0 0 0 0 0 "Unambiguous" +593091.099091 353.0516757 "C15H14O10" "O10" "CHO" 15 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.05895215216 353.05142021744 0.72158198082108 0.72 353 352.657455044896 0.34254495510379 9 0.666666666666667 0.933333333333333 -1 27.2352843592 25 0.9 32 0.4 354.0550135 38156.22358 0 0 0 0 "Unambiguous" +193830.702708 353.0668445 "C19H14O7" "O7" "CHO" 19 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.07412095216 353.06667635054 0.474899039701729 0.47 353 352.672606907279 0.327393092721366 13 0.368421052631579 0.736842105263158 6 27.2364579079 26 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +3619.671614 353.0715898 "C12H18O12" "O12" "CHO" 12 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.07886625216 353.07254958964 -2.71066627071117 2.71 353 352.677346908634 0.322653091365737 4 1 1.5 -8 27.2369096955231 24 0.9 26 0.7 0 0 0 0 0 0 "Unambiguous" +686758.875126 353.0880571 "C16H18O9" "O9" "CHO" 16 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.09533355216 353.08780572274 0.709914071785668 0.71 353 352.6937958211 0.306204178900032 8 0.5625 1.125 -1 27.2380832442231 25 0.9 34 0.5 354.0914909 60662.88188 0 0 0 0 "Unambiguous" +158690.01629 353.1033065 "C20H18O6" "O6" "CHO" 20 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.11058295216 353.10306185584 0.690869383054618 0.69 353 352.709028193484 0.290971806516325 12 0.3 0.9 6 27.2392567929231 26 1 42 0.4 354.1067549 6942.953595 0 0 0 0 "Unambiguous" +475117.312407 353.1243568 "C17H22O8" "O8" "CHO" 17 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.13163325216 353.12419122804 0.467543547228872 0.47 353 352.730054988531 0.26994501146936 7 0.470588235294118 1.29411764705882 -1 27.2408821292462 25 0.9 36 0.6 354.1276387 34112.086746 0 0 0 0 "Unambiguous" +19885.313897 353.13978 "C21H22O5" "O5" "CHO" 21 22 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.14705645216 353.13944736114 0.939267612014479 0.94 353 352.745460966848 0.254539033152298 11 0.238095238095238 1.04761904761905 6 27.2420556779462 26 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +443992.153405 353.1607475 "C18H26O7" "O7" "CHO" 18 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.16802395216 353.16057673334 0.482162839264536 0.48 353 352.76640505435 0.233594945650054 6 0.388888888888889 1.44444444444444 -1 27.2436810142692 25 0.9 38 0.7 354.1639185 52522.857954 0 0 0 0 "Unambiguous" +225447.158858 353.1970198 "C19H30O6" "O6" "CHO" 19 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.20429625216 353.19696223864 0.162508926639129 0.16 353 352.802636852376 0.197363147624287 5 0.315789473684211 1.57894736842105 -1 27.2464798992923 25 0.9 40 0.8 354.2006123 10363.868432 0 0 0 0 "Unambiguous" +40466.029588 353.2337302 "C20H34O5" "O5" "CHO" 20 34 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.24100665216 353.23334774394 1.0796493146074 1.08 353 352.839306261215 0.160693738784857 4 0.25 1.7 -1 27.2492787843154 25 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +58430.770607 353.306466 "C22H42O3" "O3" "CHO" 22 42 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.31374245216 353.30611875454 0.98005078107028 0.98 353 352.911960843771 0.0880391562289446 2 0.136363636363636 1.90909090909091 -1 27.2548765543615 25 0.9 46 0.9 0 0 0 0 0 0 "Unambiguous" +47948.051119 353.3428114 "C23H46O2" "O2" "CHO" 23 46 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 354.35008785216 353.34250425984 0.86677037924271 0.87 353 352.948265660173 0.0517343398272487 1 0.0869565217391304 2 -1 27.2576754393846 25 0.9 48 1 0 0 0 0 0 0 "Unambiguous" +2706.434804 355.0098819 "C17H8O9" "O9" "CHO" 17 8 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.01715835216 355.00955540374 0.917080124648857 0.92 355 354.613474694359 0.386525305640532 14 0.529411764705882 0.470588235294118 5 27.3859101427615 26 0.9 36 0.2 0 0 0 0 0 0 "Unambiguous" +114302.098613 355.0308756 "C14H12O11" "O11" "CHO" 14 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.03815205216 355.03068477594 0.535965201719873 0.54 355 354.634444952607 0.365555047393457 9 0.785714285714286 0.857142857142857 -2 27.3875354790846 25 0.9 30 0.4 356.0345514 2579.121505 0 0 0 0 "Unambiguous" +213563.395649 355.046202 "C18H12O8" "O8" "CHO" 18 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.05347845216 355.04594090904 0.733291417751027 0.73 355 354.649754239011 0.350245760988628 13 0.444444444444444 0.666666666666667 5 27.3887090277846 26 0.9 38 0.3 356.0501633 9223.229029 0 0 0 0 "Unambiguous" +575171.322022 355.0673514 "C15H16O10" "O10" "CHO" 15 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.07462785216 355.06707028124 0.789493937617466 0.79 355 354.670880023402 0.32911997659761 8 0.666666666666667 1.06666666666667 -2 27.3903343641077 25 0.9 32 0.5 356.0708203 25794.579582 0 0 0 0 "Unambiguous" +324113.356049 355.0826979 "C19H16O7" "O7" "CHO" 19 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.08997435216 355.08232641434 1.04323538089293 1.04 355 354.686209387363 0.313790612636581 12 0.368421052631579 0.842105263157895 5 27.3915079128077 26 0.9 40 0.4 356.0863284 20505.199497 0 0 0 0 "Unambiguous" +537211.460208 355.1036715 "C16H20O9" "O9" "CHO" 16 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.11094795216 355.10345578654 0.60574790318283 0.61 355 354.707159568054 0.292840431945706 7 0.5625 1.25 -2 27.3931332491308 25 0.9 34 0.6 356.1069531 26543.606 0 0 0 0 "Unambiguous" +122616.93054 355.118953 "C20H20O6" "O6" "CHO" 20 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.12622945216 355.11871191964 0.676951990665838 0.68 355 354.722424004595 0.277575995405186 11 0.3 1 5 27.3943067978308 26 0.9 42 0.5 356.122803 9790.91412 0 0 0 0 "Unambiguous" +482162.301195 355.1400862 "C17H24O8" "O8" "CHO" 17 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.14736265216 355.13984129184 0.687659619734113 0.69 355 354.743533607075 0.256466392925063 6 0.470588235294118 1.41176470588235 -2 27.3959321341538 25 0.9 36 0.7 356.1435829 60074.220535 0 0 0 0 "Unambiguous" +24801.274709 355.1552305 "C21H24O5" "O5" "CHO" 21 24 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.16250695216 355.15509742494 0.373635791070074 0.37 355 354.758660996814 0.241339003185715 10 0.238095238095238 1.14285714285714 5 27.3971056828538 26 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +359322.87124 355.1764004 "C18H28O7" "O7" "CHO" 18 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.18367685216 355.17622679714 0.487397012508737 0.49 355 354.779807258315 0.220192741685253 5 0.388888888888889 1.55555555555556 -2 27.3987310191769 25 0.9 38 0.7 356.1794712 8350.881243 0 0 0 0 "Unambiguous" +137659.117748 355.2129043 "C19H32O6" "O6" "CHO" 19 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.22018075216 355.21261230244 0.819710886063296 0.82 355 354.816270397734 0.183729602266055 4 0.315789473684211 1.68421052631579 -2 27.4015299042 25 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +80327.442905 355.2490178 "C20H36O5" "O5" "CHO" 20 36 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.25629425216 355.24899780774 0.0561176331715709 0.06 355 354.852343573077 0.147656426922765 3 0.25 1.8 -2 27.4043287892231 25 0.9 42 0.9 0 0 0 0 0 0 "Unambiguous" +97243.034606 355.285728 "C21H40O4" "O4" "CHO" 21 40 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.29300445216 355.28538331304 0.967425561742419 0.97 355 354.88901278214 0.110987217860043 2 0.19047619047619 1.9047619047619 -2 27.4071276742462 25 0.9 44 0.9 356.2890908 3119.132296 0 0 0 0 "Unambiguous" +62201.927806 355.3219205 "C22H44O3" "O3" "CHO" 22 44 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 356.32919695216 355.32176881834 0.42567844926384 0.43 355 354.925164869271 0.0748351307288999 1 0.136363636363636 2 -2 27.4099265592692 25 0.9 46 1 0 0 0 0 0 0 "Unambiguous" +2277.765352 357.0096736 "C13H10O12" "O12" "CHO" 13 10 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.01695005216 357.00994933444 -0.770171467973533 0.77 357 356.611033409082 0.388966590918017 9 0.923076923076923 0.769230769230769 -3 27.5397865989692 25 0.9 28 0.4 0 0 0 0 0 0 "Unambiguous" +82658.131017 357.0256386 "C17H10O9" "O9" "CHO" 17 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.03291505216 357.02520546754 1.20975597990979 1.21 357 356.62698058242 0.373019417579656 13 0.529411764705882 0.588235294117647 4 27.5409601476692 26 0.9 36 0.3 0 0 0 0 0 0 "Unambiguous" +217139.429717 357.0465393 "C14H14O11" "O11" "CHO" 14 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.05381575216 357.04633483974 0.571032205292046 0.57 357 356.647857944512 0.352142055488002 8 0.785714285714286 1 -3 27.5425854839923 25 0.9 30 0.5 358.0505396 6405.698428 0 0 0 0 "Unambiguous" +407482.363049 357.0618568 "C18H14O8" "O8" "CHO" 18 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.06913325216 357.06159097284 0.742390603635946 0.74 357 356.663158340855 0.336841659145364 12 0.444444444444444 0.777777777777778 4 27.5437590326923 26 0.9 38 0.4 358.0653268 29128.15472 0 0 0 0 "Unambiguous" +474916.52209 357.0829724 "C15H18O10" "O10" "CHO" 15 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.09024885216 357.08272034504 0.703886690081207 0.7 357 356.684250362987 0.315749637012914 7 0.666666666666667 1.2 -3 27.5453843690154 25 0.9 32 0.6 358.0865427 27808.383753 359.0894058 5522.046605 0 0 "Unambiguous" +361418.664134 357.0983056 "C19H18O7" "O7" "CHO" 19 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.10558205216 357.09797647814 0.919063752505055 0.92 357 356.699566441799 0.300433558201007 11 0.368421052631579 0.947368421052632 4 27.5465579177154 26 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +428334.401271 357.1193415 "C16H22O9" "O9" "CHO" 16 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.12661795216 357.11910585034 0.658006549041686 0.66 357 356.720578852925 0.279421147074856 6 0.5625 1.375 -3 27.5481832540385 25 0.9 34 0.6 358.1227284 31376.018772 0 0 0 0 "Unambiguous" +181859.629375 357.1346482 "C20H22O6" "O6" "CHO" 20 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.14192465216 357.13436198344 0.799170776517383 0.8 357 356.735868461327 0.264131538672871 10 0.3 1.1 4 27.5493568027385 26 0.9 42 0.5 358.1380207 4936.766536 0 0 0 0 "Unambiguous" +345245.615399 357.1557733 "C17H26O8" "O8" "CHO" 17 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.16304975216 357.15549135564 0.787195553073499 0.79 357 356.756969972852 0.243030027148222 5 0.470588235294118 1.52941176470588 -3 27.5509821390615 25 0.9 36 0.7 358.1593821 7705.051479 0 0 0 0 "Unambiguous" +52412.459722 357.1709305 "C21H26O5" "O5" "CHO" 21 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.17820695216 357.17074748874 0.510950293568017 0.51 357 356.772110248187 0.227889751813166 9 0.238095238095238 1.23809523809524 4 27.5521556877615 26 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +268557.39972 357.1920566 "C18H30O7" "O7" "CHO" 18 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.19933305216 357.19187686094 0.501785021402093 0.5 357 356.793212758595 0.206787241405152 4 0.388888888888889 1.66666666666667 -3 27.5537810240846 25 0.9 38 0.8 358.1945945 6013.280368 0 0 0 0 "Unambiguous" +158456.282156 357.2285435 "C19H34O6" "O6" "CHO" 19 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.23581995216 357.22826236624 0.784772890721188 0.78 357 356.829658916996 0.170341083003677 3 0.315789473684211 1.78947368421053 -3 27.5565799091077 25 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +18222.930441 357.2649167 "C20H38O5" "O5" "CHO" 20 38 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 358.27219315216 357.26464787154 0.750346985267028 0.75 357 356.865991502356 0.13400849764372 2 0.25 1.9 -3 27.5593787941308 25 0.9 42 0.9 0 0 0 0 0 0 "Unambiguous" +4969.621636 359.0256915 "C13H12O12" "O12" "CHO" 13 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.03296795216 359.02559939824 0.255814795315505 0.26 359 358.624800205485 0.375199794515424 8 0.923076923076923 0.923076923076923 -4 27.6948366038769 25 0.9 28 0.4 0 0 0 0 0 0 "Unambiguous" +266028.553061 359.0411113 "C17H12O9" "O9" "CHO" 17 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.04838775216 359.04085553134 0.710373018612166 0.71 359 358.640202787598 0.359797212401872 12 0.529411764705882 0.705882352941177 3 27.6960101525769 26 0.9 36 0.3 360.0444121 11667.533252 0 0 0 0 "Unambiguous" +336404.6966 359.0622271 "C14H16O11" "O11" "CHO" 14 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.06950355216 359.06198490354 0.672638081349133 0.67 359 358.661295009507 0.338704990492829 7 0.785714285714286 1.14285714285714 -4 27.6976354889 25 0.9 30 0.5 360.0659622 8650.072201 0 0 0 0 "Unambiguous" +539628.8231 359.0776008 "C18H16O8" "O8" "CHO" 18 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.08487725216 359.07724103664 0.999107107183848 1 359 358.676651543096 0.323348456903545 11 0.444444444444444 0.888888888888889 3 27.6988090376 26 0.9 38 0.4 360.0808996 55583.579246 0 0 0 0 "Unambiguous" +380475.384001 359.0985949 "C15H20O10" "O10" "CHO" 15 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.10587135216 359.09837040884 0.623403220867365 0.62 359 358.697622200897 0.302377799103112 6 0.666666666666667 1.33333333333333 -4 27.7004343739231 25 0.9 32 0.6 360.1024 18490.730261 0 0 0 0 "Unambiguous" +433505.371339 359.1139263 "C19H20O7" "O7" "CHO" 19 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.12120275216 359.11362654194 0.8323810364917 0.83 359 358.712936481719 0.287063518281343 10 0.368421052631579 1.05263157894737 3 27.7016079226231 26 0.9 40 0.5 360.1174187 40336.414987 0 0 0 0 "Unambiguous" +308261.187812 359.1349758 "C16H24O9" "O9" "CHO" 16 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.14225225216 359.13475591414 0.610552798635729 0.61 359 358.733962477659 0.266037522341094 5 0.5625 1.5 -4 27.7032332589462 25 0.9 34 0.7 360.1379765 13058.733881 0 0 0 0 "Unambiguous" +371422.733632 359.15029 "C20H24O6" "O6" "CHO" 20 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.15756645216 359.15001204724 0.771753215435216 0.77 359 358.749259577686 0.25074042231364 9 0.3 1.2 3 27.7044068076462 26 0.9 42 0.6 360.1535598 56438.5315 0 0 0 0 "Unambiguous" +199611.515863 359.1712864 "C17H28O8" "O8" "CHO" 17 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.17856285216 359.17114141944 0.402524122569662 0.4 359 358.770232532918 0.229767467081501 4 0.470588235294118 1.64705882352941 -4 27.7060321439692 25 0.9 36 0.8 360.1744407 11997.680738 0 0 0 0 "Unambiguous" +59450.312995 359.1866958 "C21H28O5" "O5" "CHO" 21 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.19397225216 359.18639755254 0.82801902030236 0.83 359 358.785624726645 0.214375273355188 8 0.238095238095238 1.33333333333333 3 27.7072056926692 26 0.9 44 0.6 360.1901097 2790.927944 0 0 0 0 "Unambiguous" +121976.907508 359.2078646 "C18H32O7" "O7" "CHO" 18 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.21514105216 359.20752692474 0.937426614109442 0.94 359 358.806769889374 0.193230110626359 3 0.388888888888889 1.77777777777778 -4 27.7088310289923 25 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +2095.537581 359.2447732 "C19H36O6" "O6" "CHO" 19 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 360.25204965216 359.24391243004 2.3893547888055 2.39 359 358.843637276901 0.156362723098823 2 0.315789473684211 1.89473684210526 -4 27.7116299140154 25 0.9 40 0.9 0 0 0 0 0 0 "Unambiguous" +56182.571466 361.0201109 "C16H10O10" "O10" "CHO" 16 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.02738735216 361.02012008984 -0.0253843778707015 0.03 361 360.616992618965 0.383007381034759 12 0.625 0.625 2 27.8482612724615 26 0.9 34 0.3 0 0 0 0 0 0 "Unambiguous" +41693.580592 361.0415379 "C13H14O12" "O12" "CHO" 13 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.04881435216 361.04124946204 0.796682514987604 0.8 361 360.638395693386 0.361604306614424 7 0.923076923076923 1.07692307692308 -5 27.8498866087846 25 0.9 28 0.5 0 0 0 0 0 0 "Unambiguous" +463257.94159 361.0568645 "C17H14O9" "O9" "CHO" 17 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.06414095216 361.05650559514 0.991274250723199 0.99 361 360.653705179567 0.346294820432888 11 0.529411764705882 0.823529411764706 2 27.8510601574846 26 0.9 36 0.4 362.0602737 30249.638851 0 0 0 0 "Unambiguous" +3466.157113 361.0715589 "C21H14O6" "O6" "CHO" 21 14 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.07883535216 361.07176172824 -0.560177011712621 0.56 361 360.668383171669 0.331616828331164 15 0.285714285714286 0.666666666666667 9 27.8522337061846 27 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +323083.520657 361.077766 "C14H18O11" "O11" "CHO" 14 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.08504245216 361.07763496734 0.361883658972778 0.36 361 360.674583340765 0.32541665923452 6 0.785714285714286 1.28571428571429 -5 27.8526854938077 25 0.9 30 0.6 362.0815035 5039.830571 0 0 0 0 "Unambiguous" +608486.67789 361.0932003 "C18H18O8" "O8" "CHO" 18 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.10047675216 361.09289110044 0.853905420816418 0.85 361 360.690000406688 0.309999593311829 10 0.444444444444444 1 2 27.8538590425077 26 0.9 38 0.5 362.0964111 75135.206367 0 0 0 0 "Unambiguous" +228370.647698 361.114194 "C15H22O10" "O10" "CHO" 15 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.12147045216 361.11402047264 0.47919655188653 0.48 361 360.710970664935 0.289029335064754 5 0.666666666666667 1.46666666666667 -5 27.8554843788308 25 0.9 32 0.7 362.1178894 9397.131032 363.1199338 2160.932785 0 0 "Unambiguous" +540173.639687 361.1295023 "C19H22O7" "O7" "CHO" 19 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.13677875216 361.12927660574 0.623229324492599 0.62 361 360.726261871551 0.273738128449281 9 0.368421052631579 1.15789473684211 2 27.8566579275308 26 0.9 40 0.6 362.1328245 80071.631973 0 0 0 0 "Unambiguous" +90062.142737 361.1502663 "C16H26O9" "O9" "CHO" 16 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.15754275216 361.15040597794 -0.385682813325265 0.39 361 360.747002686283 0.252997313717174 4 0.5625 1.625 -5 27.8582832638538 25 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +353771.461417 361.1659097 "C20H26O6" "O6" "CHO" 20 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.17318615216 361.16566211104 0.683620349097014 0.68 361 360.762628618723 0.237371381277399 8 0.3 1.3 2 27.8594568125538 26 0.9 42 0.6 362.1688323 29111.316515 0 0 0 0 "Unambiguous" +6592.810993 361.1875814 "C17H30O8" "O8" "CHO" 17 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.19485785216 361.18679148324 2.18091655058665 2.18 361 360.784276119909 0.215723880091218 3 0.470588235294118 1.76470588235294 -5 27.8610821488769 25 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +42835.263924 361.2026873 "C21H30O5" "O5" "CHO" 21 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 362.20996375216 361.20204761634 1.7660576019412 1.77 361 360.799365152526 0.200634847474134 7 0.238095238095238 1.42857142857143 2 27.8622556975769 26 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +221285.39887 363.0361705 "C16H12O10" "O10" "CHO" 16 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.04344695216 363.03577015364 1.09972137499015 1.1 363 362.630801068805 0.369198931194774 11 0.625 0.75 1 28.0033112773692 26 0.9 34 0.4 0 0 0 0 0 0 "Unambiguous" +10744.070607 363.0513314 "C20H12O7" "O7" "CHO" 20 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.05860785216 363.05102628674 0.83808830058842 0.84 363 362.645945040009 0.354054959991174 15 0.35 0.6 8 28.0044848260692 27 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +96102.885469 363.0571473 "C13H16O12" "O12" "CHO" 13 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.06442375216 363.05689952584 0.680577787476024 0.68 363 362.651754445923 0.348245554077096 6 0.923076923076923 1.23076923076923 -6 28.0049366136923 25 0.9 28 0.6 0 0 0 0 0 0 "Unambiguous" +697519.630752 363.0724747 "C17H16O9" "O9" "CHO" 17 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.07975115216 363.07215565894 0.87629443541351 0.88 363 362.667064731211 0.332935268788844 10 0.529411764705882 0.941176470588235 1 28.0061101623923 26 0.9 36 0.4 364.0759501 67615.067661 0 0 0 0 "Unambiguous" +10818.167067 363.0877452 "C21H16O6" "O6" "CHO" 21 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.09502165216 363.08741179204 0.915716887393083 0.92 363 362.682318180034 0.317681819965571 14 0.285714285714286 0.761904761904762 8 28.0072837110923 27 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +127458.085182 363.0934804 "C14H20O11" "O11" "CHO" 14 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.10075685216 363.09328503114 0.536579109766256 0.54 363 362.688046976059 0.311953023941157 5 0.785714285714286 1.42857142857143 -6 28.0077354987154 25 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +599234.771154 363.1087763 "C18H20O8" "O8" "CHO" 18 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.11605275216 363.10854116424 0.645771473649037 0.65 363 362.70332579652 0.296674203479711 9 0.444444444444444 1.11111111111111 1 28.0089090474154 26 0.9 38 0.5 364.112355 82449.052563 0 0 0 0 "Unambiguous" +4049.583135 363.1240649 "C22H20O5" "O5" "CHO" 22 20 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.13134135216 363.12379729734 0.734906967972894 0.73 363 362.718597325133 0.281402674867024 13 0.227272727272727 0.909090909090909 8 28.0100825961154 27 1 46 0.4 0 0 0 0 0 0 "Unambiguous" +25755.539173 363.1296724 "C15H24O10" "O10" "CHO" 15 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.13694885216 363.12967053644 0.00511774482948917 0.01 363 362.724198563748 0.275801436251641 4 0.666666666666667 1.6 -6 28.0105343837385 25 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +532543.684734 363.1451566 "C19H24O7" "O7" "CHO" 19 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.15243305216 363.14492666954 0.631412669951619 0.63 363 362.739665473952 0.2603345260477 8 0.368421052631579 1.26315789473684 1 28.0117079324385 26 0.9 40 0.6 364.1485833 59805.174864 0 0 0 0 "Unambiguous" +278921.478733 363.1815921 "C20H28O6" "O6" "CHO" 20 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.18886855216 363.18131217484 0.768626347915597 0.77 363 362.776060289747 0.223939710252523 7 0.3 1.4 1 28.0145068174615 26 0.9 42 0.7 364.1850343 15790.716181 0 0 0 0 "Unambiguous" +3035.295372 363.2176998 "C21H32O5" "O5" "CHO" 21 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 364.22497625216 363.21769768014 0.0058201940179214 0.01 363 362.812127671567 0.187872328432888 6 0.238095238095238 1.52380952380952 1 28.0173057024846 26 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +14783.798222 365.0156814 "C15H10O11" "O11" "CHO" 15 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.02295785216 365.01503471214 1.76679589664813 1.77 365 364.60810162925 0.391898370749857 11 0.733333333333333 0.666666666666667 0 28.1555623972538 26 0.9 32 0.3 0 0 0 0 0 0 "Unambiguous" +8960.122101 365.0307124 "C19H10O8" "O8" "CHO" 19 10 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.03798885216 365.03029084524 1.15166942461804 1.15 365 364.623115845501 0.376884154498725 15 0.421052631578947 0.526315789473684 7 28.1567359459538 27 1 40 0.2 0 0 0 0 0 0 "Unambiguous" +468357.976262 365.0517195 "C16H14O10" "O10" "CHO" 16 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.05899595216 365.05142021744 0.817580126005088 0.82 365 364.644099488786 0.355900511214259 10 0.625 0.875 0 28.1583612822769 26 0.9 34 0.4 366.054982 24494.612708 0 0 0 0 "Unambiguous" +39787.545071 365.0667848 "C20H14O7" "O7" "CHO" 20 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.07406125216 365.06667635054 0.296250052910137 0.3 365 364.659147966737 0.34085203326282 14 0.35 0.7 7 28.1595348309769 27 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +20426.778925 365.0723449 "C13H18O12" "O12" "CHO" 13 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.07962135216 365.07254958964 -0.559139673421891 0.56 365 364.66470185828 0.335298141720159 5 0.923076923076923 1.38461538461538 -7 28.1599866186 25 0.9 28 0.6 0 0 0 0 0 0 "Unambiguous" +714458.199163 365.0880895 "C17H18O9" "O9" "CHO" 17 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.09536595216 365.08780572274 0.775145730985703 0.78 365 364.680428877719 0.319571122281161 9 0.529411764705882 1.05882352941176 0 28.1611601673 26 0.9 36 0.5 366.0915395 81762.220199 0 0 0 0 "Unambiguous" +33208.29315 365.1034551 "C21H18O6" "O6" "CHO" 21 18 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.11073155216 365.10306185584 1.07411262804436 1.07 365 364.695777320353 0.30422267964741 13 0.285714285714286 0.857142857142857 7 28.162333716 27 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +9620.751182 365.1083376 "C14H22O11" "O11" "CHO" 14 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.11561405216 365.10893509494 -1.63198431589876 1.63 365 364.70065436851 0.299345631490496 4 0.785714285714286 1.57142857142857 -7 28.1627855036231 25 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +474392.775188 365.1244511 "C18H22O8" "O8" "CHO" 18 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.13172755216 365.12419122804 0.709777220714379 0.71 365 364.716749876031 0.283250123968571 8 0.444444444444444 1.22222222222222 0 28.1639590523231 26 0.9 38 0.6 366.1283944 15650.770877 0 0 0 0 "Unambiguous" +383615.556247 365.1608396 "C19H26O7" "O7" "CHO" 19 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.16811605216 365.16057673334 0.717885169250444 0.72 365 364.753097744307 0.24690225569276 7 0.368421052631579 1.36842105263158 0 28.1667579373462 26 0.9 40 0.7 366.1641628 43803.716461 0 0 0 0 "Unambiguous" +193492.30524 365.1971525 "C20H30O6" "O6" "CHO" 20 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.20442895216 365.19696223864 0.519549587463942 0.52 365 364.789370096999 0.210629903001291 6 0.3 1.5 0 28.1695568223692 26 0.9 42 0.7 366.2004283 9345.113019 0 0 0 0 "Unambiguous" +2908.105168 365.2340703 "C21H34O5" "O5" "CHO" 21 34 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 366.24134675216 365.23334774394 1.9728959234269 1.97 365 364.826246674253 0.173753325746588 5 0.238095238095238 1.61904761904762 0 28.1723557073923 26 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +114139.944723 367.0309226 "C15H12O11" "O11" "CHO" 15 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.03819905216 367.03068477594 0.646193956475492 0.65 367 366.621092592923 0.378907407077122 10 0.733333333333333 0.8 -1 28.3106124021615 26 0.9 32 0.4 0 0 0 0 0 0 "Unambiguous" +84319.354864 367.0461698 "C19H12O8" "O8" "CHO" 19 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.05344625216 367.04594090904 0.621895983638015 0.62 367 366.636322767763 0.363677232236853 14 0.421052631578947 0.631578947368421 6 28.3117859508615 27 1 40 0.3 0 0 0 0 0 0 "Unambiguous" +595109.301887 367.0673127 "C16H16O10" "O10" "CHO" 16 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.07458915216 367.06707028124 0.658613137577534 0.66 367 366.657442059412 0.342557940587881 9 0.625 1 -1 28.3134112871846 26 0.9 34 0.5 368.0703977 57449.147517 0 0 0 0 "Unambiguous" +171330.304972 367.0826917 "C20H16O7" "O7" "CHO" 20 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.08996815216 367.08232641434 0.992381459971237 0.99 367 366.672803887083 0.327196112916624 13 0.35 0.8 6 28.3145848358846 27 1 42 0.4 368.0851533 6427.012249 0 0 0 0 "Unambiguous" +516681.86129 367.1036836 "C17H20O9" "O9" "CHO" 17 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.11096005216 367.10345578654 0.618871711894637 0.62 367 366.69377234734 0.306227652659686 8 0.529411764705882 1.17647058823529 -1 28.3162101722077 26 0.9 36 0.6 368.1071785 52843.315278 369.109621 8585.280676 0 0 "Unambiguous" +38775.45657 367.1188282 "C21H20O6" "O6" "CHO" 21 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.12610465216 367.11871191964 0.315870997753161 0.32 367 366.708900036745 0.291099963255363 12 0.285714285714286 0.952380952380952 6 28.3173837209077 27 1 44 0.5 0 0 0 0 0 0 "Unambiguous" +422977.25433 367.1401339 "C18H24O8" "O8" "CHO" 18 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.14741035216 367.13984129184 0.794812490272636 0.79 367 366.73018194661 0.269818053390338 7 0.444444444444444 1.33333333333333 -1 28.3190090572308 26 0.9 38 0.6 368.1428258 32098.32353 0 0 0 0 "Unambiguous" +325384.1186 367.1764824 "C19H28O7" "O7" "CHO" 19 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.18375885216 367.17622679714 0.694226330947688 0.69 367 366.76648985955 0.233510140450164 6 0.368421052631579 1.47368421052632 -1 28.3218079422538 26 0.9 40 0.7 368.180272 42688.002367 0 0 0 0 "Unambiguous" +102321.558365 367.2127391 "C20H32O6" "O6" "CHO" 20 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.22001555216 367.21261230244 0.344352709448446 0.34 367 366.802706074995 0.197293925005283 5 0.3 1.6 -1 28.3246068272769 26 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +10298.572168 367.2493664 "C21H36O5" "O5" "CHO" 21 36 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.25664285216 367.24899780774 1.0009113676169 1 367 366.839292476624 0.160707523375663 4 0.238095238095238 1.71428571428571 -1 28.3274057123 26 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +4185.751067 367.2857349 "C22H40O4" "O4" "CHO" 22 40 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.29301135216 367.28538331304 0.954639238748749 0.95 367 366.875620367232 0.124379632767671 3 0.181818181818182 1.81818181818182 -1 28.3302045973231 26 0.9 46 0.9 0 0 0 0 0 0 "Unambiguous" +2194.293916 367.3220094 "C23H44O3" "O3" "CHO" 23 44 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.32928585216 367.32176881834 0.653170055339065 0.65 367 366.911854362802 0.0881456371984086 2 0.130434782608696 1.91304347826087 -1 28.3330034823462 26 0.9 48 0.9 0 0 0 0 0 0 "Unambiguous" +252144.175082 367.3583725 "C24H48O2" "O2" "CHO" 24 48 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 368.36564895216 367.35815432364 0.592282045260584 0.59 367 366.948176859439 0.0518231405607708 1 0.0833333333333333 2 -1 28.3358023673692 26 0.9 50 1 368.3615557 21213.992161 0 0 0 0 "Unambiguous" +12042.915356 369.0252494 "C18H10O9" "O9" "CHO" 18 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.03252585216 369.02520546754 0.118725941497644 0.12 369 368.613192509802 0.386807490198464 14 0.5 0.555555555555556 5 28.4640370707462 27 0.9 38 0.3 0 0 0 0 0 0 "Unambiguous" +285271.498176 369.0466439 "C15H14O11" "O11" "CHO" 15 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.05392035216 369.04633483974 0.835176289212377 0.84 369 368.634563120512 0.3654368794883 9 0.733333333333333 0.933333333333333 -2 28.4656624070692 26 0.9 32 0.4 370.0502862 13852.516373 0 0 0 0 "Unambiguous" +229079.09456 369.0618869 "C19H14O8" "O8" "CHO" 19 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.06916335216 369.06159097284 0.799653657444705 0.8 369 368.649789100042 0.350210899958313 13 0.421052631578947 0.736842105263158 5 28.4668359557692 27 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +506842.928799 369.0830336 "C16H18O10" "O10" "CHO" 16 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.09031005216 369.08272034504 0.846428429794336 0.85 369 368.670912187448 0.329087812552416 8 0.625 1.125 -2 28.4684612920923 26 0.9 34 0.5 370.0863751 48531.726336 0 0 0 0 "Unambiguous" +203377.415285 369.0983583 "C20H18O7" "O7" "CHO" 20 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.10563475216 369.09797647814 1.03165643576006 1.03 369 368.686219775751 0.313780224249342 12 0.35 0.9 5 28.4696348407923 27 0.9 42 0.4 370.1017511 16715.857221 0 0 0 0 "Unambiguous" +2389.383881 369.1036087 "C13H22O12" "O12" "CHO" 13 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.11088515216 369.10384971724 -0.651202787244117 0.65 369 368.691464313107 0.308535686892867 3 0.923076923076923 1.69230769230769 -9 28.4700866284154 25 0.9 28 0.8 0 0 0 0 0 0 "Unambiguous" +376891.139966 369.1193397 "C17H22O9" "O9" "CHO" 17 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.12661615216 369.11910585034 0.631809899063598 0.63 369 368.707177747732 0.292822252268024 7 0.529411764705882 1.29411764705882 -2 28.4712601771154 26 0.9 36 0.6 370.1224876 40321.578191 0 0 0 0 "Unambiguous" +53633.792509 369.1347108 "C21H22O6" "O6" "CHO" 21 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.14198725216 369.13436198344 0.942385819548862 0.94 369 368.722531684224 0.277468315775593 11 0.285714285714286 1.04761904761905 5 28.4724337258154 27 0.9 44 0.5 370.1388267 3695.6305 0 0 0 0 "Unambiguous" +411235.605766 369.1558546 "C18H26O8" "O8" "CHO" 18 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.16313105216 369.15549135564 0.981308859648677 0.98 369 368.743651874868 0.256348125131581 6 0.444444444444444 1.44444444444444 -2 28.4740590621385 26 0.9 38 0.7 370.1586066 26615.708914 0 0 0 0 "Unambiguous" +11370.918242 369.1708711 "C22H26O5" "O5" "CHO" 22 26 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.17814755216 369.17074748874 0.333923708926206 0.33 369 368.75865160731 0.241348392689645 10 0.227272727272727 1.18181818181818 5 28.4752326108385 27 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +313119.611188 369.192146 "C19H30O7" "O7" "CHO" 19 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.19942245216 369.19187686094 0.727011020703298 0.73 369 368.779902751567 0.220097248433035 5 0.368421052631579 1.57894736842105 -2 28.4768579471615 26 0.9 40 0.8 370.1959879 20109.140582 0 0 0 0 "Unambiguous" +97934.033374 369.2284754 "C20H34O6" "O6" "CHO" 20 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.23575185216 369.22826236624 0.575400292642368 0.58 369 368.816191585834 0.18380841416564 4 0.3 1.7 -2 28.4796568321846 26 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +23055.250015 369.2651779 "C21H38O5" "O5" "CHO" 21 38 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.27245435216 369.26464787154 1.43145528061322 1.43 369 368.852853103495 0.147146896504978 3 0.238095238095238 1.80952380952381 -2 28.4824557172077 26 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +158014.761811 369.3013071 "C22H42O4" "O4" "CHO" 22 42 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.30858355216 369.30103337684 0.739175844514375 0.74 369 368.888941961307 0.111058038692534 2 0.181818181818182 1.90909090909091 -2 28.4852546022308 26 0.9 46 0.9 370.3049068 5338.010349 0 0 0 0 "Unambiguous" +4314.220521 369.3380967 "C23H46O3" "O3" "CHO" 23 46 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 370.34537315216 369.33741888214 1.83023174899657 1.83 369 368.925690481712 0.0743095182884872 1 0.130434782608696 2 -2 28.4880534872538 26 0.9 48 1 0 0 0 0 0 0 "Unambiguous" +15153.811215 371.0260255 "C14H12O12" "O12" "CHO" 14 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.03330195216 371.02559939824 1.14533230701936 1.15 371 370.611734525334 0.388265474665843 9 0.857142857142857 0.857142857142857 -3 28.6179135269538 26 0.9 30 0.4 0 0 0 0 0 0 "Unambiguous" +192219.403561 371.0410664 "C18H12O9" "O9" "CHO" 18 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.04834285216 371.04085553134 0.566777581652357 0.57 371 370.626758630531 0.373241369469156 13 0.5 0.666666666666667 4 28.6190870756538 27 0.9 38 0.3 372.044859 8050.199459 0 0 0 0 "Unambiguous" +344106.099669 371.062258 "C15H16O11" "O11" "CHO" 15 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.06953445216 371.06198490354 0.733993070506847 0.73 371 370.647926567801 0.352073432199063 8 0.733333333333333 1.06666666666667 -3 28.6207124119769 26 0.9 32 0.5 372.0652746 4737.12007 0 0 0 0 "Unambiguous" +359204.154105 371.0777206 "C19H16O8" "O8" "CHO" 19 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.08499705216 371.07724103664 1.28885433125365 1.29 371 370.663371902124 0.336628097876314 12 0.421052631578947 0.842105263157895 4 28.6218859606769 27 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +414047.423092 371.0985964 "C16H20O10" "O10" "CHO" 16 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.10587285216 371.09837040884 0.607330269523013 0.61 371 370.684224392019 0.315775607981095 7 0.625 1.25 -3 28.623511297 26 0.9 34 0.6 372.1018982 15451.760334 0 0 0 0 "Unambiguous" +227278.415028 371.113788 "C20H20O7" "O7" "CHO" 20 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.12106445216 371.11362654194 0.433885838319649 0.43 371 370.699399028943 0.300600971057349 11 0.35 1 4 28.6246848457 27 0.9 42 0.5 372.1174073 8409.458277 0 0 0 0 "Unambiguous" +351824.997855 371.13501 "C17H24O9" "O9" "CHO" 17 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.14228645216 371.13475591414 0.682765354235458 0.68 371 370.720597332268 0.279402667732143 6 0.529411764705882 1.41176470588235 -3 28.6263101820231 26 0.9 36 0.7 372.1386343 10775.068008 0 0 0 0 "Unambiguous" +106462.533783 371.1502057 "C21H24O6" "O6" "CHO" 21 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.15748215216 371.15001204724 0.520351650284807 0.52 371 370.735776064614 0.264223935386497 10 0.285714285714286 1.14285714285714 4 28.6274837307231 27 0.9 44 0.5 372.1542956 2603.549173 0 0 0 0 "Unambiguous" +319905.287682 371.1715119 "C18H28O8" "O8" "CHO" 18 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.17878835216 371.17114141944 0.995437062976883 1 371 370.75705847392 0.24294152607979 5 0.444444444444444 1.55555555555556 -3 28.6291090670462 26 0.9 38 0.7 372.1754855 6772.232195 0 0 0 0 "Unambiguous" +33618.292188 371.1865772 "C22H28O5" "O5" "CHO" 22 28 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.19385365216 371.18639755254 0.48267175358415 0.48 371 370.772106951872 0.227893048128351 9 0.227272727272727 1.27272727272727 4 28.6302826157462 27 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +163248.532463 371.2079272 "C19H32O7" "O7" "CHO" 19 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.21520365216 371.20752692474 1.07538664750492 1.08 371 370.793433112271 0.206566887729139 4 0.368421052631579 1.68421052631579 -3 28.6319079520692 26 0.9 40 0.8 372.2110222 8428.776274 0 0 0 0 "Unambiguous" +112959.07996 371.2441963 "C20H36O6" "O6" "CHO" 20 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.25147275216 371.24391243004 0.76257578758788 0.76 371 370.82966171387 0.170338286130175 3 0.3 1.8 -3 28.6347068370923 26 0.9 42 0.9 372.2475637 2872.258904 0 0 0 0 "Unambiguous" +7801.727909 371.2809952 "C21H40O5" "O5" "CHO" 21 40 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 372.28827165216 371.28029793534 1.87291599842883 1.87 371 370.866419523889 0.133580476110637 2 0.238095238095238 1.9047619047619 -3 28.6375057221154 26 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +26880.442573 373.0205186 "C17H10O10" "O10" "CHO" 17 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.02779505216 373.02012008984 1.06545600421703 1.07 373 372.604000556521 0.395999443479297 13 0.588235294117647 0.588235294117647 3 28.7713381955385 27 0.9 36 0.3 0 0 0 0 0 0 "Unambiguous" +87293.919651 373.0419877 "C14H14O12" "O12" "CHO" 14 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.04926415216 373.04124946204 1.97363831647227 1.97 373 372.625445683932 0.374554316068156 8 0.857142857142857 1 -4 28.7729635318615 26 0.9 30 0.5 0 0 0 0 0 0 "Unambiguous" +743197.676748 373.0565056 "C18H14O9" "O9" "CHO" 18 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.06378205216 373.05650559514 1.2992432999257e-05 0 373 372.639947373115 0.360052626884965 12 0.5 0.777777777777778 3 28.7741370805615 27 0.9 38 0.4 374.0602797 66581.534668 0 0 0 0 "Unambiguous" +353319.567604 373.0778697 "C15H18O11" "O11" "CHO" 15 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.08514615216 373.07763496734 0.627484577902632 0.63 373 372.66128761777 0.338712382229858 7 0.733333333333333 1.2 -4 28.7757624168846 26 0.9 32 0.6 374.0815927 7736.904997 0 0 0 0 "Unambiguous" +418535.856814 373.0932202 "C19H18O8" "O8" "CHO" 19 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.10049665216 373.09289110044 0.87970896313881 0.88 373 372.676620977265 0.32337902273531 11 0.421052631578947 0.947368421052632 3 28.7769359655846 27 0.9 40 0.4 374.0968283 44291.274495 0 0 0 0 "Unambiguous" +326992.575694 373.1142317 "C16H22O10" "O10" "CHO" 16 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.12150815216 373.11402047264 0.564595607066731 0.56 373 372.697609015636 0.30239098436391 6 0.625 1.375 -4 28.7785613019077 26 0.9 34 0.6 374.1179608 3675.935419 0 0 0 0 "Unambiguous" +264765.545196 373.1296008 "C20H22O7" "O7" "CHO" 20 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.13687725216 373.12927660574 0.866512444355127 0.87 373 372.712960954362 0.287039045638323 10 0.35 1.1 3 28.7797348506077 27 0.9 42 0.5 374.1333459 21052.161016 0 0 0 0 "Unambiguous" +254422.860017 373.1506893 "C17H26O9" "O9" "CHO" 17 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.15796575216 373.15040597794 0.757225786939694 0.76 373 372.734025906754 0.265974093245745 5 0.529411764705882 1.52941176470588 -4 28.7813601869308 26 0.9 36 0.7 374.1547323 4008.957282 0 0 0 0 "Unambiguous" +149022.329361 373.166228 "C21H26O6" "O6" "CHO" 21 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.17350445216 373.16566211104 1.51237047311247 1.51 373 372.749547256103 0.250452743897029 9 0.285714285714286 1.23809523809524 3 28.7825337356308 27 0.9 44 0.6 374.1690726 7532.025112 0 0 0 0 "Unambiguous" +172122.375861 373.1870563 "C18H30O8" "O8" "CHO" 18 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.19433275216 373.18679148324 0.707698478689051 0.71 373 372.770352299037 0.229647700962857 4 0.444444444444444 1.66666666666667 -4 28.7841590719538 26 0.9 38 0.8 374.190369 10389.384135 0 0 0 0 "Unambiguous" +7200.116712 373.2023537 "C22H30O5" "O5" "CHO" 22 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.20963015216 373.20204761634 0.817947041829476 0.82 373 372.785632617824 0.214367382176363 8 0.227272727272727 1.36363636363636 3 28.7853326206538 27 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +80451.668159 373.2238347 "C19H34O7" "O7" "CHO" 19 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 374.23111115216 373.22317698854 1.75750075396666 1.76 373 372.807089631947 0.192910368052878 3 0.368421052631579 1.78947368421053 -4 28.7869579569769 26 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +163172.068039 375.0361566 "C17H12O10" "O10" "CHO" 17 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.04343305216 375.03577015364 1.02766416342595 1.03 375 374.617387877123 0.382612122876935 12 0.588235294117647 0.705882352941177 2 28.9263882004462 27 0.9 36 0.3 0 0 0 0 0 0 "Unambiguous" +3328.277856 375.0518818 "C21H12O7" "O7" "CHO" 21 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.05915825216 375.05102628674 2.27494329352649 2.27 375 374.633095518224 0.366904481775748 16 0.333333333333333 0.571428571428571 9 28.9275617491462 28 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +152220.030928 375.057198 "C14H16O12" "O12" "CHO" 14 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.06447445216 375.05689952584 0.793678159794125 0.79 375 374.638405782108 0.361594217892105 7 0.857142857142857 1.14285714285714 -5 28.9280135367692 26 0.9 30 0.5 0 0 0 0 0 0 "Unambiguous" +506363.122171 375.0725525 "C18H16O9" "O9" "CHO" 18 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.07982895216 375.07215565894 1.05520431944604 1.06 375 374.653743137136 0.346256862864038 11 0.5 0.888888888888889 2 28.9291870854692 27 0.9 38 0.4 376.0758345 35142.135459 0 0 0 0 "Unambiguous" +5653.406124 375.0875831 "C22H16O6" "O6" "CHO" 22 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.09485955216 375.08741179204 0.455491362450648 0.46 375 374.668756953834 0.331243046166264 15 0.272727272727273 0.727272727272727 9 28.9303606341692 28 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +228001.781511 375.0934356 "C15H20O11" "O11" "CHO" 15 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.10071205216 375.09328503114 0.400341863753152 0.4 375 374.67460291888 0.325397081120059 6 0.733333333333333 1.33333333333333 -5 28.9308124217923 26 0.9 32 0.6 376.0972429 18391.674727 0 0 0 0 "Unambiguous" +482935.506324 375.1089367 "C19H20O8" "O8" "CHO" 19 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.11621315216 375.10854116424 1.0516317727363 1.05 375 374.690086710213 0.309913289786778 10 0.421052631578947 1.05263157894737 2 28.9319859704923 27 0.9 40 0.5 376.1117249 48912.1815 0 0 0 0 "Unambiguous" +205587.559195 375.129802 "C16H24O10" "O10" "CHO" 16 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.13707845216 375.12967053644 0.349509706695083 0.35 375 374.710928711833 0.289071288167179 5 0.625 1.5 -5 28.9336113068154 26 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +437511.767852 375.1451856 "C20H24O7" "O7" "CHO" 20 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.15246205216 375.14492666954 0.688365719032733 0.69 375 374.726295134368 0.273704865632396 9 0.35 1.2 2 28.9347848555154 27 0.9 42 0.6 376.1488547 52185.090418 0 0 0 0 "Unambiguous" +72017.999308 375.1660342 "C17H28O9" "O9" "CHO" 17 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.17331065216 375.16605604174 -0.0580629708344946 0.06 375 374.747120454635 0.252879545365374 4 0.529411764705882 1.64705882352941 -5 28.9364101918385 26 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +157664.397415 375.1816608 "C21H28O6" "O6" "CHO" 21 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.18893725216 375.18131217484 0.926728899895286 0.93 375 374.762729605833 0.237270394166558 8 0.285714285714286 1.33333333333333 2 28.9375837405385 27 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +15644.434734 375.2026916 "C18H32O8" "O8" "CHO" 18 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.20996805216 375.20244154704 0.664663302992521 0.66 375 374.783736922654 0.216263077345729 3 0.444444444444444 1.77777777777778 -5 28.9392090768615 26 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +17795.036307 375.218238 "C22H32O5" "O5" "CHO" 22 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 376.22551445216 375.21769768014 1.43615953534889 1.44 375 374.799265963405 0.200734036594838 7 0.227272727272727 1.45454545454545 2 28.9403826255615 27 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +14594.231255 377.0154212 "C16H10O11" "O11" "CHO" 16 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.02269765216 377.01503471214 1.02239326473995 1.02 377 376.594442412589 0.405557587411238 12 0.6875 0.625 1 29.0786393203308 27 0.9 34 0.3 0 0 0 0 0 0 "Unambiguous" +331446.202119 377.0518105 "C17H14O10" "O10" "CHO" 17 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.05908695216 377.05142021744 1.0323321763798 1.03 377 376.630791079971 0.369208920028711 11 0.588235294117647 0.823529411764706 1 29.0814382053538 27 0.9 36 0.4 378.0548834 35375.899376 0 0 0 0 "Unambiguous" +6119.351015 377.0672298 "C21H14O7" "O7" "CHO" 21 14 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.07450625216 377.06667635054 1.46386347366993 1.46 377 376.646193162643 0.353806837356842 15 0.333333333333333 0.666666666666667 8 29.0826117540538 28 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +153204.973952 377.0723912 "C14H18O12" "O12" "CHO" 14 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.07966765216 377.07254958964 -0.418931916928202 0.42 377 376.651348799378 0.348651200622157 6 0.857142857142857 1.28571428571429 -6 29.0830635416769 26 0.9 30 0.6 0 0 0 0 0 0 "Unambiguous" +603636.662646 377.0881665 "C18H18O9" "O9" "CHO" 18 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.09544295216 377.08780572274 0.954196266452326 0.95 377 376.667106484537 0.33289351546307 10 0.5 1 1 29.0842370903769 27 0.9 38 0.5 378.091486 72331.269372 0 0 0 0 "Unambiguous" +81291.573677 377.1091118 "C15H22O11" "O11" "CHO" 15 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.11638825216 377.10893509494 0.467329810391685 0.47 377 376.688028396828 0.311971603172196 5 0.733333333333333 1.46666666666667 -6 29.0858624267 26 0.9 32 0.7 378.1127026 2190.609757 0 0 0 0 "Unambiguous" +485639.776967 377.1244947 "C19H22O8" "O8" "CHO" 19 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.13177115216 377.12419122804 0.802556101273898 0.8 377 376.703394120144 0.296605879855747 9 0.421052631578947 1.15789473684211 1 29.0870359754 27 0.9 40 0.6 378.127592 62168.012409 0 0 0 0 "Unambiguous" +16720.961522 377.1453101 "C16H26O10" "O10" "CHO" 16 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.15258655216 377.14532060024 -0.0277672038743444 0.03 377 376.724186277483 0.275813722517341 4 0.625 1.625 -6 29.0886613117231 26 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +411700.10799 377.1608162 "C20H26O7" "O7" "CHO" 20 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.16809265216 377.16057673334 0.633228092597057 0.63 377 376.739675063233 0.26032493676712 8 0.35 1.3 1 29.0898348604231 27 0.9 42 0.6 378.1641076 34323.042421 0 0 0 0 "Unambiguous" +63602.321093 377.1973033 "C21H30O6" "O6" "CHO" 21 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 378.20457975216 377.19696223864 0.901790666270511 0.9 377 376.776121421411 0.223878578588938 7 0.285714285714286 1.42857142857143 1 29.0926337454462 27 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +97636.920274 379.0310371 "C16H12O11" "O11" "CHO" 16 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.03831355216 379.03068477594 0.927075106406097 0.93 379 378.607807657868 0.392192342131864 11 0.6875 0.75 0 29.2336893252385 27 0.9 34 0.4 380.0339483 2098.861917 0 0 0 0 "Unambiguous" +6403.298159 379.0460543 "C20H12O8" "O8" "CHO" 20 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.05333075216 379.04594090904 0.298355390732478 0.3 379 378.622808089528 0.377191910471538 15 0.4 0.6 7 29.2348628739385 28 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +548891.397116 379.0674433 "C17H16O10" "O10" "CHO" 17 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.07471975216 379.06707028124 0.981435335253357 0.98 379 378.64417320638 0.355826793620054 10 0.588235294117647 0.941176470588235 0 29.2364882102615 27 0.9 36 0.4 380.0709259 56816.853299 381.0735715 2542.216909 0 0 "Unambiguous" +45123.050078 379.0825397 "C21H16O7" "O7" "CHO" 21 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.08981615216 379.08232641434 0.561145421207713 0.56 379 378.659252749605 0.340747250395111 14 0.333333333333333 0.761904761904762 7 29.2376617589615 28 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +43381.163752 379.0876729 "C14H20O12" "O12" "CHO" 14 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.09494935216 379.08819965344 -1.38584698626944 1.39 379 378.664380217828 0.335619782172103 5 0.857142857142857 1.42857142857143 -7 29.2381135465846 26 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +536712.939754 379.1038604 "C18H20O9" "O9" "CHO" 18 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.11113685216 379.10345578654 1.06446094510229 1.06 379 378.680549642721 0.319450357279209 9 0.5 1.11111111111111 0 29.2392870952846 27 0.9 38 0.5 380.1073192 59754.528398 0 0 0 0 "Unambiguous" +15545.946077 379.1191999 "C22H20O6" "O6" "CHO" 22 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.12647635216 379.11871191964 1.28373157448759 1.28 379 378.695872014498 0.304127985501907 13 0.272727272727273 0.909090909090909 7 29.2404606439846 28 1 46 0.4 0 0 0 0 0 0 "Unambiguous" +3075.912565 379.1243725 "C15H24O11" "O11" "CHO" 15 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.13164895216 379.12458515874 -0.559434450099837 0.56 379 378.701038838727 0.298961161273326 4 0.733333333333333 1.6 -7 29.2409124316077 26 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +447496.457272 379.1402034 "C19H24O8" "O8" "CHO" 19 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.14747985216 379.13984129184 0.952546522589881 0.95 379 378.716852061802 0.283147938197658 8 0.421052631578947 1.26315789473684 0 29.2420859803077 27 0.9 40 0.6 380.1437407 35999.238021 0 0 0 0 "Unambiguous" +260876.900061 379.1764963 "C20H28O7" "O7" "CHO" 20 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.18377275216 379.17622679714 0.708875231761044 0.71 379 378.753104436826 0.246895563174064 7 0.35 1.4 0 29.2448848653308 27 0.9 42 0.7 380.1796722 6560.364947 0 0 0 0 "Unambiguous" +19392.066582 379.2134923 "C21H32O6" "O6" "CHO" 21 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 380.22076875216 379.21261230244 2.31443843238601 2.31 379 378.790059126762 0.209940873238168 6 0.285714285714286 1.52380952380952 0 29.2476837503538 27 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +294900.269401 381.0467203 "C16H14O11" "O11" "CHO" 16 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.05399675216 381.04633483974 1.0089156592962 1.01 381 380.621240128 0.378759872000217 10 0.6875 0.875 -1 29.3887393301462 27 0.9 34 0.4 382.050628 16041.215764 0 0 0 0 "Unambiguous" +98509.263937 381.0619749 "C20H14O8" "O8" "CHO" 20 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.06925135216 381.06159097284 1.00486275361997 1 381 380.636477694577 0.363522305422862 14 0.4 0.7 6 29.3899128788462 28 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +4028.384621 381.0669514 "C13H18O13" "O13" "CHO" 13 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.07422785216 381.06746421194 -1.34217882966613 1.34 381 380.641448637773 0.358551362227274 5 1 1.38461538461538 -8 29.3903646664692 26 0.9 28 0.6 0 0 0 0 0 0 "Unambiguous" +559902.586416 381.0829471 "C17H18O10" "O10" "CHO" 17 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.09022355216 381.08272034504 0.593459204222774 0.59 381 380.657426476831 0.342573523168767 9 0.588235294117647 1.05882352941176 -1 29.3915382151692 27 0.9 36 0.5 382.0863945 42639.833675 0 0 0 0 "Unambiguous" +92278.525152 381.0984566 "C21H18O7" "O7" "CHO" 21 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.10573305216 381.09797647814 1.2565157193938 1.26 381 380.672918658785 0.327081341214978 13 0.333333333333333 0.857142857142857 6 29.3927117638692 28 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +4566.361058 381.1029625 "C14H22O12" "O12" "CHO" 14 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.11023895216 381.10384971724 -2.32188816096379 2.32 381 380.677419527457 0.322580472543223 4 0.857142857142857 1.57142857142857 -8 29.3931635514923 26 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +470390.270383 381.1194917 "C18H22O9" "O9" "CHO" 18 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.12676815216 381.11910585034 1.00974255708866 1.01 381 380.693930270804 0.306069729195599 8 0.5 1.22222222222222 -1 29.3943371001923 27 0.9 38 0.6 382.1229727 31983.257034 0 0 0 0 "Unambiguous" +16300.12959 381.1344183 "C22H22O6" "O6" "CHO" 22 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.14169475216 381.13436198344 0.147370885666173 0.15 381 380.70884020363 0.291159796370493 12 0.272727272727273 1 6 29.3955106488923 28 1 46 0.5 0 0 0 0 0 0 "Unambiguous" +395428.294868 381.1557548 "C19H26O8" "O8" "CHO" 19 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.16303125216 381.15549135564 0.689350718113236 0.69 381 380.730152879103 0.269847120896998 7 0.421052631578947 1.36842105263158 -1 29.3971359852154 27 0.9 40 0.7 382.159576 29872.502705 0 0 0 0 "Unambiguous" +247609.116915 381.1922555 "C20H30O7" "O7" "CHO" 20 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.19953195216 381.19187686094 0.990684258702512 0.99 381 380.766612822095 0.233387177904717 6 0.35 1.5 -1 29.3999348702385 27 0.9 42 0.7 382.195571 5363.065603 0 0 0 0 "Unambiguous" +33864.264417 381.2286428 "C21H34O6" "O6" "CHO" 21 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.23591925216 381.22826236624 0.995285217349745 1 381 380.802959491711 0.197040508288978 5 0.285714285714286 1.61904761904762 -1 29.4027337552615 27 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +18496.592505 381.3374706 "C24H46O3" "O3" "CHO" 24 46 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 382.34474705216 381.33741888214 0.135264994377579 0.14 381 380.911665773617 0.0883342263826421 2 0.125 1.91666666666667 -1 29.4111304103308 27 0.9 50 0.9 0 0 0 0 0 0 "Unambiguous" +24111.690726 383.0258707 "C15H12O12" "O12" "CHO" 15 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.03314715216 383.02559939824 0.706454018374002 0.71 383 382.598180590982 0.401819409017833 10 0.8 0.8 -2 29.5409904500308 27 0.9 32 0.4 0 0 0 0 0 0 "Unambiguous" +76584.85428 383.0414227 "C19H12O9" "O9" "CHO" 19 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.04869915216 383.04085553134 1.47681442820379 1.48 383 382.61371522548 0.386284774519936 14 0.473684210526316 0.631578947368421 5 29.5421639987308 28 0.9 40 0.3 384.0456735 3039.019265 0 0 0 0 "Unambiguous" +402142.239549 383.0622889 "C16H16O11" "O11" "CHO" 16 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.06956535216 383.06198490354 0.791514057534835 0.79 383 382.634558126095 0.36544187390524 9 0.6875 1 -2 29.5437893350538 27 0.9 34 0.5 384.066335 18873.706766 385.0687583 6196.622859 0 0 "Unambiguous" +216298.152087 383.0777163 "C20H16O8" "O8" "CHO" 20 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.08499275216 383.07724103664 1.23739112164295 1.24 383 382.649968299722 0.350031700277896 13 0.4 0.8 5 29.5449628837538 28 0.9 42 0.4 384.0810977 9129.02594 0 0 0 0 "Unambiguous" +444366.324334 383.0986279 "C17H20O10" "O10" "CHO" 17 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.10590435216 383.09837040884 0.670365014206176 0.67 383 382.670856549643 0.329143450357321 8 0.588235294117647 1.17647058823529 -2 29.5465882200769 27 0.9 36 0.6 384.102078 13324.242938 0 0 0 0 "Unambiguous" +115303.412349 383.1138634 "C21H20O7" "O7" "CHO" 21 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.12113985216 383.11362654194 0.616623339479979 0.62 383 382.686075037547 0.313924962452688 12 0.333333333333333 0.952380952380952 5 29.5477617687769 28 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +375170.237143 383.1350208 "C18H24O9" "O9" "CHO" 18 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.14229725216 383.13475591414 0.6895514029941 0.69 383 382.707208813005 0.292791186994577 7 0.5 1.33333333333333 -2 29.5493871051 27 0.9 38 0.6 384.1382004 18002.419936 0 0 0 0 "Unambiguous" +50149.54627 383.1502229 "C22H24O6" "O6" "CHO" 22 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.15749935216 383.15001204724 0.548870607397603 0.55 383 382.722393938205 0.277606061795211 11 0.272727272727273 1.09090909090909 5 29.5505606538 28 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +373551.481186 383.1714237 "C19H28O8" "O8" "CHO" 19 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.17870015216 383.17114141944 0.734763691673812 0.73 383 382.743571065202 0.256428934797896 6 0.421052631578947 1.47368421052632 -2 29.5521859901231 27 0.9 40 0.7 384.175122 52168.396855 0 0 0 0 "Unambiguous" +167979.644658 383.2077293 "C20H32O7" "O7" "CHO" 20 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.21500575216 383.20752692474 0.526723987837151 0.53 383 382.779836126045 0.220163873955244 5 0.35 1.6 -2 29.5549848751462 27 0.9 42 0.8 384.2108818 4131.80301 0 0 0 0 "Unambiguous" +37808.52997 383.2444981 "C21H36O6" "O6" "CHO" 21 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.25177455216 383.24391243004 1.52418283737447 1.52 383 382.816563869674 0.183436130325788 4 0.285714285714286 1.71428571428571 -2 29.5577837601692 27 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +25191.264778 383.2800939 "C22H40O5" "O5" "CHO" 22 40 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.28737035216 383.28029793534 -0.530944693336697 0.53 383 382.852119923086 0.147880076914021 3 0.227272727272727 1.81818181818182 -2 29.5605826451923 27 0.9 46 0.9 0 0 0 0 0 0 "Unambiguous" +36689.920857 383.3172726 "C23H44O4" "O4" "CHO" 23 44 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.32454905216 383.31668344064 1.53297352838128 1.53 383 382.889257109017 0.110742890982579 2 0.173913043478261 1.91304347826087 -2 29.5633815302154 27 0.9 48 0.9 0 0 0 0 0 0 "Unambiguous" +8521.447608 383.3537394 "C24H48O3" "O3" "CHO" 24 48 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 384.36101585216 383.35306894594 1.74433418677367 1.74 383 382.925683189863 0.0743168101372476 1 0.125 2 -2 29.5661804152385 27 0.9 50 1 0 0 0 0 0 0 "Unambiguous" +15831.291435 385.0205559 "C18H10O10" "O10" "CHO" 18 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.02783235216 385.02012008984 1.1289604619981 1.13 385 384.590638507668 0.409361492331811 14 0.555555555555556 0.555555555555556 4 29.6944151186154 28 0.9 38 0.3 0 0 0 0 0 0 "Unambiguous" +121345.609898 385.0416203 "C15H14O12" "O12" "CHO" 15 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.04889675216 385.04124946204 0.960598419223122 0.96 385 384.611679386971 0.388320613029066 9 0.8 0.933333333333333 -3 29.6960404549385 27 0.9 32 0.4 0 0 0 0 0 0 "Unambiguous" +246865.746671 385.0570606 "C19H14O9" "O9" "CHO" 19 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.06433705216 385.05650559514 1.43759681159953 1.44 385 384.627102446194 0.372897553805956 13 0.473684210526316 0.736842105263158 4 29.6972140036385 28 0.9 40 0.3 386.060078 9456.510447 0 0 0 0 "Unambiguous" +380110.408683 385.0780888 "C16H18O11" "O11" "CHO" 16 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.08536525216 385.07763496734 1.17547232000798 1.18 385 384.648107165918 0.351892834081923 8 0.6875 1.125 -3 29.6988393399615 27 0.9 34 0.5 386.0815327 13025.105119 0 0 0 0 "Unambiguous" +306413.608475 385.0935066 "C20H18O8" "O8" "CHO" 20 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.10078305216 385.09289110044 1.59414222148721 1.59 385 384.663507750265 0.336492249735102 12 0.4 0.9 4 29.7000128886615 28 0.9 42 0.4 386.0967593 13264.780367 0 0 0 0 "Unambiguous" +378626.006006 385.1144149 "C17H22O10" "O10" "CHO" 17 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.12169135216 385.11402047264 1.02151049481703 1.02 385 384.68439270387 0.315607296129713 7 0.588235294117647 1.29411764705882 -3 29.7016382249846 27 0.9 36 0.6 386.1182001 25074.319786 0 0 0 0 "Unambiguous" +141926.437133 385.1297274 "C21H22O7" "O7" "CHO" 21 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.13700385216 385.12927660574 1.16744641285682 1.17 385 384.699688105796 0.300311894204015 11 0.333333333333333 1.04761904761905 4 29.7028117736846 28 0.9 44 0.5 386.1330038 8042.148334 0 0 0 0 "Unambiguous" +333060.703666 385.1506871 "C18H26O9" "O9" "CHO" 18 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.15796355216 385.15040597794 0.727997572515128 0.73 385 384.720624402008 0.279375597992214 6 0.5 1.44444444444444 -3 29.7044371100077 27 0.9 38 0.7 386.1538063 10683.538496 0 0 0 0 "Unambiguous" +87944.876905 385.1661055 "C22H26O6" "O6" "CHO" 22 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.17338195216 385.16566211104 1.14816033600798 1.15 385 384.736025585685 0.263974414315442 10 0.272727272727273 1.18181818181818 4 29.7056106587077 28 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +246216.243102 385.1871732 "C19H30O8" "O8" "CHO" 19 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.19444965216 385.18679148324 0.988405608451677 0.99 385 384.757069761303 0.242930238697454 5 0.421052631578947 1.57894736842105 -3 29.7072359950308 27 0.9 40 0.8 386.1906826 13602.606528 0 0 0 0 "Unambiguous" +7672.265059 385.2026756 "C23H30O5" "O5" "CHO" 23 30 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.20995205216 385.20204761634 1.6260162553746 1.63 385 384.772554851184 0.227445148815775 9 0.217391304347826 1.30434782608696 4 29.7084095437308 28 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +130374.965349 385.2236167 "C20H34O7" "O7" "CHO" 20 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.23089315216 385.22317698854 1.13846786413441 1.14 385 384.793472568165 0.206527431835184 4 0.35 1.7 -3 29.7100348800538 27 0.9 42 0.8 386.2280235 2589.576869 0 0 0 0 "Unambiguous" +62981.603855 385.260383 "C21H38O6" "O6" "CHO" 21 38 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.26765945216 385.25956249384 2.12419067427527 2.12 385 384.830197814586 0.169802185414198 3 0.285714285714286 1.80952380952381 -3 29.7128337650769 27 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +8268.231607 385.2951591 "C22H42O5" "O5" "CHO" 22 42 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 386.30243555216 385.29594799914 -2.04218008323791 2.04 385 384.864935083282 0.135064916718136 2 0.227272727272727 1.90909090909091 -3 29.7156326501 27 0.9 46 0.9 0 0 0 0 0 0 "Unambiguous" +4303.742319 387.0204834 "C14H12O13" "O13" "CHO" 14 12 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.02775985216 387.02051402054 -0.0789132715285401 0.08 387 386.588332870755 0.411667129244847 9 0.928571428571429 0.857142857142857 -4 29.8482915748231 27 0.9 30 0.4 0 0 0 0 0 0 "Unambiguous" +150709.811931 387.0361902 "C18H12O10" "O10" "CHO" 18 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.04346665216 387.03577015364 1.08247244479611 1.08 387 386.604022132402 0.395977867597992 13 0.555555555555556 0.666666666666667 3 29.8494651235231 28 0.9 38 0.3 0 0 0 0 0 0 "Unambiguous" +183424.224646 387.0573414 "C15H16O12" "O12" "CHO" 15 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.06461785216 387.05689952584 1.13866129421711 1.14 387 386.625149714783 0.374850285216894 8 0.8 1.06666666666667 -4 29.8510904598462 27 0.9 32 0.5 0 0 0 0 0 0 "Unambiguous" +400840.224345 387.0725757 "C19H16O9" "O9" "CHO" 19 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.07985215216 387.07215565894 1.08235729755406 1.08 387 386.640367004028 0.35963299597239 12 0.473684210526316 0.842105263157895 3 29.8522640085462 28 0.9 40 0.4 388.075303 16629.549778 0 0 0 0 "Unambiguous" +360370.247374 387.0936728 "C16H20O11" "O11" "CHO" 16 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.10094925216 387.09328503114 0.99914432244302 1 387 386.661440546817 0.338559453182711 7 0.6875 1.25 -4 29.8538893448692 27 0.9 34 0.6 388.0974049 18422.114414 0 0 0 0 "Unambiguous" +354297.051254 387.108989 "C20H20O8" "O8" "CHO" 20 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.11626545216 387.10854116424 1.15387011534636 1.15 387 386.676739644612 0.32326035538847 11 0.4 1 3 29.8550628935692 28 0.9 42 0.5 388.112159 22357.540495 0 0 0 0 "Unambiguous" +275431.908048 387.1301662 "C17H24O10" "O10" "CHO" 17 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.13744265216 387.12967053644 1.27703103471678 1.28 387 386.697893197961 0.302106802039134 6 0.588235294117647 1.41176470588235 -4 29.8566882298923 27 0.9 36 0.7 388.1340799 12087.458346 0 0 0 0 "Unambiguous" +184404.9957 387.1453852 "C21H24O7" "O7" "CHO" 21 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.15266165216 387.14492666954 1.18131473860087 1.18 387 386.71309520429 0.286904795710484 10 0.333333333333333 1.14285714285714 3 29.8578617785923 28 0.9 44 0.5 388.1489278 11760.426109 0 0 0 0 "Unambiguous" +204129.708645 387.1661895 "C18H28O9" "O9" "CHO" 18 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.17346595216 387.16605604174 0.343810877613337 0.34 387 386.733876274022 0.26612372597782 5 0.5 1.55555555555556 -4 29.8594871149154 27 0.9 38 0.7 388.1694698 11548.199374 0 0 0 0 "Unambiguous" +83936.556165 387.1817987 "C22H28O6" "O6" "CHO" 22 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.18907515216 387.18131217484 1.2533200729793 1.25 387 386.74946804465 0.250531955349913 9 0.272727272727273 1.27272727272727 3 29.8606606636154 28 0.9 46 0.6 388.1856582 2857.936084 0 0 0 0 "Unambiguous" +139810.738309 387.2028789 "C19H32O8" "O8" "CHO" 19 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.21015535216 387.20244154704 1.12658814806313 1.13 387 386.77052470631 0.229475293689575 4 0.421052631578947 1.68421052631579 -4 29.8622859999385 27 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +6228.175559 387.2178629 "C23H32O5" "O5" "CHO" 23 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.22513935216 387.21769768014 0.425577437650019 0.43 387 386.785491975042 0.214508024957809 8 0.217391304347826 1.39130434782609 3 29.8634595486385 28 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +87444.585589 387.2392686 "C20H36O7" "O7" "CHO" 20 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 388.24654505216 387.23882705234 1.13728677221416 1.14 387 386.806873773246 0.193126226753691 3 0.35 1.8 -4 29.8650848849615 27 0.9 42 0.9 0 0 0 0 0 0 "Unambiguous" +10979.128592 389.0155774 "C17H10O11" "O11" "CHO" 17 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.02285385216 389.01503471214 1.39142579628494 1.39 389 388.581199130971 0.418800869028587 13 0.647058823529412 0.588235294117647 2 30.0017162434077 28 0.9 36 0.3 0 0 0 0 0 0 "Unambiguous" +3582.149535 389.0365948 "C14H14O13" "O13" "CHO" 14 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.04387125216 389.03616408434 1.10427490789523 1.1 389 388.602193062755 0.397806937245207 8 0.928571428571429 1 -5 30.0033415797308 27 0.9 30 0.5 0 0 0 0 0 0 "Unambiguous" +289986.938568 389.0520691 "C18H14O10" "O10" "CHO" 18 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.05934555216 389.05142021744 1.66354829701632 1.66 389 388.617650084013 0.382349915986822 12 0.555555555555556 0.777777777777778 2 30.0045151284308 28 0.9 38 0.4 390.0552176 13280.705355 0 0 0 0 "Unambiguous" +178441.837079 389.0718093 "C15H18O12" "O12" "CHO" 15 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.07908575216 389.07254958964 -1.89779372184625 1.9 389 388.63736824193 0.362631758070449 7 0.8 1.2 -5 30.0061404647538 27 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +192287.468672 389.0733129 "C15H18O12" "O12" "CHO" 15 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.08058935216 389.07254958964 1.95680169920462 1.96 389 388.638870162996 0.361129837003659 7 0.8 1.2 -5 30.0061404647538 27 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +484384.458322 389.0882606 "C19H18O9" "O9" "CHO" 19 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.09553705216 389.08780572274 1.16606630128993 1.17 389 388.653801172261 0.346198827738988 11 0.473684210526316 0.947368421052632 2 30.0073140134538 28 0.9 40 0.4 390.0918161 56824.613344 0 0 0 0 "Unambiguous" +244178.161223 389.1092786 "C16H22O11" "O11" "CHO" 16 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.11655505216 389.10893509494 0.880519054030112 0.88 389 388.674795703374 0.3252042966256 6 0.6875 1.375 -5 30.0089393497769 27 0.9 34 0.6 390.1136016 4066.462216 0 0 0 0 "Unambiguous" +370427.586989 389.1246044 "C20H22O8" "O8" "CHO" 20 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.13188085216 389.12419122804 1.05905715553691 1.06 389 388.690104390449 0.309895609550779 10 0.4 1.1 2 30.0101128984769 28 0.9 42 0.5 390.1279671 46062.441659 0 0 0 0 "Unambiguous" +166776.954299 389.145662 "C17H26O10" "O10" "CHO" 17 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.15293845216 389.14532060024 0.875040852918637 0.88 389 388.711138477345 0.288861522655054 5 0.588235294117647 1.52941176470588 -5 30.0117382348 27 0.9 36 0.7 390.1495186 4513.893325 0 0 0 0 "Unambiguous" +199957.305278 389.1608881 "C21H26O7" "O7" "CHO" 21 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.16816455216 389.16057673334 0.798031946998267 0.8 389 388.726347575746 0.273652424254294 9 0.333333333333333 1.23809523809524 2 30.0129117835 28 0.9 44 0.6 390.1645501 23480.094081 0 0 0 0 "Unambiguous" +73238.594359 389.182145 "C18H30O9" "O9" "CHO" 18 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.18942145216 389.18170610554 1.12482408763453 1.12 389 388.747580740101 0.252419259898772 4 0.5 1.66666666666667 -5 30.0145371198231 27 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +46596.356839 389.1975439 "C22H30O6" "O6" "CHO" 22 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.20482035216 389.19696223864 1.49065652104674 1.49 389 388.762962445552 0.237037554448079 8 0.272727272727273 1.36363636363636 2 30.0157106685231 28 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +21462.556771 389.217816 "C19H34O8" "O8" "CHO" 19 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.22509245216 389.21809161084 -0.706286820922356 0.71 389 388.783211909544 0.216788090456021 3 0.421052631578947 1.78947368421053 -5 30.0173360048462 27 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +2914.236657 389.2341006 "C23H34O5" "O5" "CHO" 23 34 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 390.24137705216 389.23334774394 1.929206138202 1.93 389 388.799478326014 0.200521673985918 7 0.217391304347826 1.47826086956522 2 30.0185095535462 28 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +72187.253187 391.031253 "C17H12O11" "O11" "CHO" 17 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.03852945216 391.03068477594 1.44940871186668 1.45 391 390.594624009589 0.405375990410732 12 0.647058823529412 0.705882352941177 1 30.1567662483154 28 0.9 36 0.3 0 0 0 0 0 0 "Unambiguous" +2504.191563 391.0468911 "C21H12O8" "O8" "CHO" 21 12 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.05416755216 391.04594090904 2.42362162843527 2.42 391 390.610244647947 0.38975535205293 16 0.380952380952381 0.571428571428571 8 30.1579397970154 29 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +28573.114355 391.0519722 "C14H16O13" "O13" "CHO" 14 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.05924865216 391.05181414814 0.403132589157183 0.4 391 390.615320074345 0.384679925654552 7 0.928571428571429 1.14285714285714 -6 30.1583915846385 27 0.9 30 0.5 0 0 0 0 0 0 "Unambiguous" +439225.000891 391.0675869 "C18H16O10" "O10" "CHO" 18 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.07486335216 391.06707028124 1.31765335728372 1.32 391 390.630917338832 0.369082661168079 11 0.555555555555556 0.888888888888889 1 30.1595651333385 28 0.9 38 0.4 392.0706335 46182.432046 0 0 0 0 "Unambiguous" +16614.208939 391.0823834 "C22H16O7" "O7" "CHO" 22 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.08965985216 391.08232641434 0.145338339310307 0.15 391 390.645697316928 0.354302683072149 15 0.318181818181818 0.727272727272727 8 30.1607386820385 29 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +173194.482971 391.0883282 "C15H20O12" "O12" "CHO" 15 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.09560465216 391.08819965344 0.327844939918327 0.33 391 390.651635478911 0.348364521088968 6 0.8 1.33333333333333 -6 30.1611904696615 27 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +558739.967128 391.1038384 "C19H20O9" "O9" "CHO" 19 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.11111485216 391.10345578654 0.975778154415527 0.98 391 390.667128360083 0.332871639916846 10 0.473684210526316 1.05263157894737 1 30.1623640183615 28 0.9 40 0.5 392.1070265 54800.737746 0 0 0 0 "Unambiguous" +2483.571487 391.1191068 "C23H20O6" "O6" "CHO" 23 20 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.12638325216 391.11871191964 1.00702318650921 1.01 391 390.682379711251 0.317620288748685 14 0.260869565217391 0.869565217391304 8 30.1635375670615 29 1 48 0.4 0 0 0 0 0 0 "Unambiguous" +110524.954558 391.1248283 "C16H24O11" "O11" "CHO" 16 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.13210475216 391.12458515874 0.62004935850389 0.62 391 390.688094822573 0.311905177426695 5 0.6875 1.5 -6 30.1639893546846 27 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +404234.276724 391.1402783 "C20H24O8" "O8" "CHO" 20 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.14755475216 391.13984129184 1.11439725855071 1.11 391 390.703527570965 0.296472429034736 9 0.4 1.2 1 30.1651629033846 28 0.9 42 0.6 392.143585 31148.962102 0 0 0 0 "Unambiguous" +14240.957737 391.1612004 "C17H28O10" "O10" "CHO" 17 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.16847685216 391.16097066404 0.585809348771296 0.59 391 390.724426309162 0.275573690838485 4 0.588235294117647 1.64705882352941 -6 30.1667882397077 27 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +208702.352957 391.1766539 "C21H28O7" "O7" "CHO" 21 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.18393035216 391.17622679714 1.08903712515885 1.09 391 390.739862553645 0.260137446354634 8 0.333333333333333 1.33333333333333 1 30.1679617884077 28 0.9 44 0.6 392.1793856 16232.454608 0 0 0 0 "Unambiguous" +48561.134665 391.2127486 "C22H32O6" "O6" "CHO" 22 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 392.22002505216 391.21261230244 0.347502807860013 0.35 391 390.775916949981 0.22408305001909 7 0.272727272727273 1.45454545454545 1 30.1707606734308 28 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +2977.355327 393.0246983 "C20H10O9" "O9" "CHO" 20 10 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.03197475216 393.02520546754 -1.28712280341725 1.29 393 392.585843410759 0.414156589241315 16 0.45 0.5 7 30.3101909169 29 1 42 0.2 0 0 0 0 0 0 "Unambiguous" +230703.49076 393.0468128 "C17H14O11" "O11" "CHO" 17 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.05408925216 393.04633483974 1.21293059265256 1.21 393 392.60793321751 0.392066782489621 11 0.647058823529412 0.823529411764706 0 30.3118162532231 28 0.9 36 0.4 394.0498824 17009.319472 0 0 0 0 "Unambiguous" +19333.226125 393.0618698 "C21H14O8" "O8" "CHO" 21 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.06914625216 393.06159097284 0.707558971957867 0.71 393 392.62297340473 0.377026595270308 15 0.380952380952381 0.666666666666667 7 30.3129898019231 29 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +22349.702882 393.0670959 "C14H18O13" "O13" "CHO" 14 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.07437235216 393.06746421194 -0.934625455983698 0.93 393 392.62819366922 0.371806330780203 6 0.928571428571429 1.28571428571429 -7 30.3134415895462 27 0.9 30 0.6 0 0 0 0 0 0 "Unambiguous" +576406.382238 393.0831196 "C18H18O10" "O10" "CHO" 18 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.09039605216 393.08272034504 1.01310502354923 1.01 393 392.644199477013 0.35580052298684 10 0.555555555555556 1 0 30.3146151382462 28 0.9 38 0.5 394.0867777 50619.442835 0 0 0 0 "Unambiguous" +22338.34786 393.0976502 "C22H18O7" "O7" "CHO" 22 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.10492665216 393.09797647814 -0.827896628356411 0.83 393 392.658713852015 0.34128614798459 14 0.318181818181818 0.818181818181818 7 30.3157886869462 29 1 46 0.4 0 0 0 0 0 0 "Unambiguous" +30077.712377 393.103503 "C15H22O12" "O12" "CHO" 15 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.11077945216 393.10384971724 -0.879745640270016 0.88 393 392.664560116727 0.335439883273352 5 0.8 1.46666666666667 -7 30.3162404745692 27 0.9 32 0.7 0 0 0 0 0 0 "Unambiguous" +500999.773783 393.1194546 "C19H22O9" "O9" "CHO" 19 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.12673105216 393.11910585034 0.884866801681304 0.88 393 392.680493905028 0.319506094972439 9 0.473684210526316 1.15789473684211 0 30.3174140232692 28 0.9 40 0.6 394.1230799 58269.971733 0 0 0 0 "Unambiguous" +6513.713407 393.1349068 "C23H22O6" "O6" "CHO" 23 22 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.14218325216 393.13436198344 1.38228432066672 1.38 393 392.695928850963 0.304071149036986 13 0.260869565217391 0.956521739130435 7 30.3185875719692 29 1 48 0.5 0 0 0 0 0 0 "Unambiguous" +22958.052651 393.1391237 "C16H26O11" "O11" "CHO" 16 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.14640015216 393.14023522254 -2.82007533129099 2.82 393 392.700141042335 0.299858957665151 4 0.6875 1.625 -7 30.3190393595923 27 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +354034.52326 393.1560106 "C20H26O8" "O8" "CHO" 20 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.16328705216 393.15549135564 1.31733313837335 1.32 393 392.717009086271 0.282990913728611 8 0.4 1.3 0 30.3202129082923 28 0.9 42 0.6 394.158558 25126.879634 0 0 0 0 "Unambiguous" +117500.302839 393.1922344 "C21H30O7" "O7" "CHO" 21 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.19951085216 393.19187686094 0.907000263004128 0.91 393 392.753192438453 0.246807561547257 7 0.333333333333333 1.42857142857143 0 30.3230117933154 28 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +9796.866194 393.2292884 "C22H34O6" "O6" "CHO" 22 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 394.23656485216 393.22826236624 2.60258395955967 2.6 393 392.790205063625 0.209794936374749 6 0.272727272727273 1.54545454545455 0 30.3258106783385 28 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +22559.528425 395.0258164 "C16H12O12" "O12" "CHO" 16 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.03309285216 395.02559939824 0.547938452424994 0.55 395 394.584727044411 0.415272955588932 11 0.75 0.75 -1 30.4640673731077 28 0.9 34 0.4 0 0 0 0 0 0 "Unambiguous" +11845.839325 395.0417901 "C20H12O9" "O9" "CHO" 20 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.04906655216 395.04085553134 2.35972948552254 2.36 395 394.600682908035 0.399317091965031 15 0.45 0.6 6 30.4652409218077 29 1 42 0.3 0 0 0 0 0 0 "Unambiguous" +448778.239812 395.062437 "C17H16O11" "O11" "CHO" 17 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.06971345216 395.06198490354 1.14145678066853 1.14 395 394.621306753522 0.378693246478065 10 0.647058823529412 0.941176470588235 -1 30.4668662581308 28 0.9 36 0.4 396.0657865 40396.562009 0 0 0 0 "Unambiguous" +138274.666581 395.0778376 "C21H16O8" "O8" "CHO" 21 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.08511405216 395.07724103664 1.50614940782297 1.51 395 394.636690157074 0.363309842925617 14 0.380952380952381 0.761904761904762 6 30.4680398068308 29 1 44 0.4 0 0 0 0 0 0 "Unambiguous" +13949.273621 395.0825378 "C14H20O13" "O13" "CHO" 14 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.08981425216 395.08311427574 -1.45541672430688 1.46 395 394.641385108789 0.358614891210891 5 0.928571428571429 1.42857142857143 -8 30.4684915944538 27 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +543790.191382 395.0986642 "C18H20O10" "O10" "CHO" 18 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.10594065216 395.09837040884 0.741698444412546 0.74 395 394.657493501907 0.342506498093258 9 0.555555555555556 1.11111111111111 -1 30.4696651431538 28 0.9 38 0.5 396.1021095 36734.631361 0 0 0 0 "Unambiguous" +43647.253003 395.1137384 "C22H20O7" "O7" "CHO" 22 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.12101485216 395.11362654194 0.282383554017645 0.28 395 394.67255086992 0.327449130079629 13 0.318181818181818 0.909090909090909 6 30.4708386918538 29 1 46 0.4 396.1166022 3565.603562 0 0 0 0 "Unambiguous" +411328.307162 395.1351625 "C19H24O9" "O9" "CHO" 19 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.14243895216 395.13475591414 1.02636279280504 1.03 395 394.693951047579 0.306048952421065 8 0.473684210526316 1.26315789473684 -1 30.4724640281769 28 0.9 40 0.6 396.1388425 39666.386436 0 0 0 0 "Unambiguous" +4034.100539 395.1508916 "C23H24O6" "O6" "CHO" 23 24 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.15816805216 395.15001204724 2.2202060463274 2.22 395 394.709662584325 0.290337415674628 12 0.260869565217391 1.04347826086957 6 30.4736375768769 29 1 48 0.5 0 0 0 0 0 0 "Unambiguous" +6428.156636 395.1547315 "C16H28O11" "O11" "CHO" 16 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.16200795216 395.15588528634 -2.91241036948364 2.91 395 394.713498196659 0.286501803341253 3 0.6875 1.75 -8 30.4740893645 27 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +297028.586715 395.1716238 "C20H28O8" "O8" "CHO" 20 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.17890025216 395.17114141944 1.21758266204572 1.22 395 394.730371634566 0.269628365434357 7 0.4 1.4 -1 30.4752629132 28 0.9 42 0.7 396.1755028 15306.044271 0 0 0 0 "Unambiguous" +113022.26943 395.2079782 "C21H32O7" "O7" "CHO" 21 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.21525465216 395.20752692474 1.13896488019827 1.14 395 394.766685440918 0.233314559082203 6 0.333333333333333 1.52380952380952 -1 30.4780617982231 28 0.9 44 0.7 396.2110564 3666.496762 0 0 0 0 "Unambiguous" +11144.247945 395.2435751 "C22H36O6" "O6" "CHO" 22 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.25085155216 395.24391243004 -0.851304265153705 0.85 395 394.802242593101 0.197757406898745 5 0.272727272727273 1.63636363636364 -1 30.4808606832462 28 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +5198.180446 395.3899971 "C26H52O2" "O2" "CHO" 26 52 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 396.39727355216 395.38945445124 1.36895179715741 1.37 395 394.948501096988 0.051498903011975 1 0.0769230769230769 2 -1 30.4920562233385 28 0.9 54 1 0 0 0 0 0 0 "Unambiguous" +2676.616174 397.0212696 "C19H10O10" "O10" "CHO" 19 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.02854605216 397.02012008984 2.8880093434592 2.89 397 396.577952103541 0.42204789645865 15 0.526315789473684 0.526315789473684 5 30.6174920416923 29 0.9 40 0.2 0 0 0 0 0 0 "Unambiguous" +153020.364184 397.0415216 "C16H14O12" "O12" "CHO" 16 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.04879805216 397.04124946204 0.683679893841767 0.68 397 396.598181489977 0.401818510022736 10 0.75 0.875 -2 30.6191173780154 28 0.9 34 0.4 0 0 0 0 0 0 "Unambiguous" +140643.354516 397.0570911 "C20H14O9" "O9" "CHO" 20 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.06436755216 397.05650559514 1.47087985694069 1.47 397 396.613733604934 0.386266395065547 14 0.45 0.7 5 30.6202909267154 29 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +441737.433058 397.0781033 "C17H18O11" "O11" "CHO" 17 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.08537975216 397.07763496734 1.17646284906493 1.18 397 396.634722342524 0.365277657475758 9 0.647058823529412 1.05882352941176 -2 30.6219162630385 28 0.9 36 0.5 398.0818719 27095.690808 0 0 0 0 "Unambiguous" +184516.339682 397.0934644 "C21H18O8" "O8" "CHO" 21 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.10074085216 397.09289110044 1.4400866443749 1.44 397 396.650066290183 0.349933709817265 13 0.380952380952381 0.857142857142857 5 30.6230898117385 29 0.9 44 0.4 398.0970607 3402.576382 0 0 0 0 "Unambiguous" +2352.599358 397.0983375 "C14H22O13" "O13" "CHO" 14 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.10561395216 397.09876433954 -1.07217664120422 1.07 397 396.654933948836 0.345066051164224 4 0.928571428571429 1.57142857142857 -9 30.6235415993615 27 0.9 30 0.7 0 0 0 0 0 0 "Unambiguous" +428925.722429 397.1144013 "C18H22O10" "O10" "CHO" 18 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.12167775216 397.11402047264 0.956560220871484 0.96 397 396.670979811853 0.329020188146842 8 0.555555555555556 1.22222222222222 -2 30.6247151480615 28 0.9 38 0.6 398.1183504 31975.356593 0 0 0 0 "Unambiguous" +86679.632524 397.1297897 "C22H22O7" "O7" "CHO" 22 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.13706615216 397.12927660574 1.28873773296706 1.29 397 396.686351029028 0.313648970971769 12 0.318181818181818 1 5 30.6258886967615 29 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +385164.621929 397.1508954 "C19H26O9" "O9" "CHO" 19 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.15817185216 397.15040597794 1.22921515786982 1.23 397 396.707433162215 0.292566837784875 7 0.473684210526316 1.36842105263158 -2 30.6275140330846 28 0.9 40 0.7 398.1539428 24781.245775 0 0 0 0 "Unambiguous" +10396.574835 397.165803 "C23H26O6" "O6" "CHO" 23 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.17307945216 397.16566211104 0.35383848687437 0.35 397 396.722324116256 0.27767588374428 11 0.260869565217391 1.1304347826087 5 30.6286875817846 29 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +287098.081572 397.1871434 "C20H30O8" "O8" "CHO" 20 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.19441985216 397.18679148324 0.88378124466633 0.88 397 396.743640687374 0.256359312625534 6 0.4 1.5 -2 30.6303129181077 28 0.9 42 0.7 398.1911774 16167.796063 0 0 0 0 "Unambiguous" +79632.609293 397.2235253 "C21H34O7" "O7" "CHO" 21 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.23080175216 397.22317698854 0.874647210821643 0.87 397 396.77998196302 0.220018036980093 5 0.333333333333333 1.61904761904762 -2 30.6331118031308 28 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +54844.157859 397.2602926 "C22H38O6" "O6" "CHO" 22 38 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.26756905216 397.25956249384 1.83320515336863 1.83 397 396.816708208324 0.183291791675742 4 0.272727272727273 1.72727272727273 -2 30.6359106881538 28 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +4046.464531 397.2966069 "C23H42O5" "O5" "CHO" 23 42 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.30388335216 397.29594799914 1.65426672333124 1.65 397 396.852981959452 0.14701804054755 3 0.217391304347826 1.82608695652174 -2 30.6387095731769 28 0.9 48 0.9 0 0 0 0 0 0 "Unambiguous" +144583.63403 397.3327268 "C24H46O4" "O4" "CHO" 24 46 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 398.34000325216 397.33233350444 0.987336337779636 0.99 397 396.889061527649 0.110938472350597 2 0.166666666666667 1.91666666666667 -2 30.6415084582 28 0.9 50 0.9 398.3353874 2277.211088 0 0 0 0 "Unambiguous" +73515.596825 399.036583 "C19H12O10" "O10" "CHO" 19 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.04385945216 399.03577015364 2.03189310575409 2.03 399 398.591015186595 0.408984813405027 14 0.526315789473684 0.631578947368421 4 30.7725420466 29 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +220154.733575 399.0572894 "C16H16O12" "O12" "CHO" 16 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.06456585216 399.05689952584 0.974528096959936 0.97 399 398.611698465644 0.388301534356231 9 0.75 1 -3 30.7741673829231 28 0.9 34 0.5 400.0616817 5320.758455 0 0 0 0 "Unambiguous" +249017.102057 399.0726574 "C20H16O9" "O9" "CHO" 20 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.07993385216 399.07215565894 1.25410203703375 1.25 399 398.627049305598 0.372950694402334 13 0.45 0.8 4 30.7753409316231 29 0.9 42 0.4 400.0755479 18531.213377 0 0 0 0 "Unambiguous" +370763.399084 399.0936147 "C17H20O11" "O11" "CHO" 17 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.10089115216 399.09328503114 0.823964323201 0.82 399 398.647983204489 0.352016795510735 8 0.647058823529412 1.17647058823529 -3 30.7769662679462 28 0.9 36 0.6 400.0972886 34097.803774 0 0 0 0 "Unambiguous" +205220.882384 399.1092197 "C21H20O8" "O8" "CHO" 21 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.11649615216 399.10854116424 1.69584550121034 1.7 399 398.663570779807 0.336429220193168 12 0.380952380952381 0.952380952380952 4 30.7781398166462 29 0.9 44 0.5 400.1119563 10296.142959 0 0 0 0 "Unambiguous" +317872.847696 399.1299865 "C18H24O10" "O10" "CHO" 18 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.13726295216 399.12967053644 0.789637929806267 0.79 399 398.684314391412 0.315685608587614 7 0.555555555555556 1.33333333333333 -3 30.7797651529692 28 0.9 38 0.6 400.1339556 21923.780964 401.1362491 4589.606384 0 0 "Unambiguous" +79961.347763 399.1457011 "C22H24O7" "O7" "CHO" 22 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.15297755216 399.14492666954 1.93533599262399 1.94 399 398.70001144435 0.299988555650316 11 0.318181818181818 1.09090909090909 4 30.7809387016692 29 0.9 46 0.5 400.1488076 4528.244096 0 0 0 0 "Unambiguous" +313905.236145 399.1666136 "C19H28O9" "O9" "CHO" 19 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.17389005216 399.16605604174 1.39328995191206 1.39 399 398.720900593265 0.279099406734645 6 0.473684210526316 1.47368421052632 -3 30.7825640379923 28 0.9 40 0.7 400.1697517 33028.612925 0 0 0 0 "Unambiguous" +35380.648635 399.1818081 "C23H28O6" "O6" "CHO" 23 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.18908455216 399.18131217484 1.23922710327 1.24 399 398.736078126951 0.263921873049071 10 0.260869565217391 1.21739130434783 4 30.7837375866923 29 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +2097.284647 399.1861125 "C16H32O11" "O11" "CHO" 16 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.19338895216 399.18718541394 -2.68098866600972 2.68 399 398.740377720619 0.259622279380608 1 0.6875 2 -10 30.7841893743154 27 0.9 34 0.9 0 0 0 0 0 0 "Unambiguous" +217126.175158 399.2028582 "C20H32O8" "O8" "CHO" 20 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.21013465216 399.20244154704 1.04108547962287 1.04 399 398.757104722221 0.242895277778814 5 0.4 1.6 -3 30.7853629230154 28 0.9 42 0.8 400.2066449 9217.429717 0 0 0 0 "Unambiguous" +3561.669656 399.2170741 "C24H32O5" "O5" "CHO" 24 32 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.22435055216 399.21769768014 -1.55807646164517 1.56 399 398.77130474862 0.228695251379747 9 0.208333333333333 1.33333333333333 4 30.7865364717154 29 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +126080.769138 399.2393629 "C21H36O7" "O7" "CHO" 21 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.24663935216 399.23882705234 1.33879365211824 1.34 399 398.793568660747 0.206431339252902 4 0.333333333333333 1.71428571428571 -3 30.7881618080385 28 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +82188.481136 399.2756036 "C22H40O6" "O6" "CHO" 22 40 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.28288005216 399.27521255764 0.976915025514342 0.98 399 398.829768894058 0.170231105942321 3 0.272727272727273 1.81818181818182 -3 30.7909606930615 28 0.9 46 0.9 400.2795717 2160.22646 0 0 0 0 "Unambiguous" +7178.764337 399.3123748 "C23H44O5" "O5" "CHO" 23 44 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 400.31965125216 399.31159806294 1.9402921079793 1.94 399 398.866499035007 0.13350096499272 2 0.217391304347826 1.91304347826087 -3 30.7937595780846 28 0.9 48 0.9 0 0 0 0 0 0 "Unambiguous" +24362.929072 401.0363033 "C15H14O13" "O13" "CHO" 15 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.04357975216 401.03616408434 0.346270073719125 0.35 401 400.588502581043 0.411497418956685 9 0.866666666666667 0.933333333333333 -4 30.9264185028077 28 0.9 32 0.4 0 0 0 0 0 0 "Unambiguous" +262615.702444 401.0518157 "C19H14O10" "O10" "CHO" 19 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.05909215216 401.05142021744 0.983642871869587 0.98 401 400.603997659759 0.396002340241068 13 0.526315789473684 0.736842105263158 3 30.9275920515077 29 0.9 40 0.3 402.0559315 11987.345208 0 0 0 0 "Unambiguous" +293885.263715 401.0730411 "C16H18O12" "O12" "CHO" 16 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.08031755216 401.07254958964 1.22241835426332 1.22 401 400.625199359288 0.374800640712351 8 0.75 1.125 -4 30.9292173878308 28 0.9 34 0.5 402.0764512 14957.464641 0 0 0 0 "Unambiguous" +404509.496631 401.088263 "C20H18O9" "O9" "CHO" 20 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.09553945216 401.08780572274 1.13723534619247 1.14 401 400.640404262378 0.35959573762193 12 0.45 0.9 3 30.9303909365308 29 0.9 42 0.4 402.0919275 60758.745017 0 0 0 0 "Unambiguous" +323575.408842 401.1093005 "C17H22O11" "O11" "CHO" 17 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.11657695216 401.10893509494 0.908704293718146 0.91 401 400.661418271718 0.338581728282293 7 0.647058823529412 1.29411764705882 -4 30.9320162728538 28 0.9 36 0.6 0 0 0 0 0 0 "Unambiguous" +241308.217675 401.1247277 "C21H22O8" "O8" "CHO" 21 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.13200415216 401.12419122804 1.33406929680943 1.33 401 400.676828245568 0.323171754431655 11 0.380952380952381 1.04761904761905 3 30.9331898215538 29 0.9 44 0.5 402.1275418 17359.227155 0 0 0 0 "Unambiguous" +276912.951934 401.1456837 "C18H26O10" "O10" "CHO" 18 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.15296015216 401.14532060024 0.90288968626563 0.9 401 400.697760845912 0.302239154088454 6 0.555555555555556 1.44444444444444 -4 30.9348151578769 28 0.9 38 0.7 402.1491866 11373.804277 403.1520182 3665.645853 0 0 "Unambiguous" +127704.475119 401.1609383 "C22H26O7" "O7" "CHO" 22 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.16821475216 401.16057673334 0.899043352326326 0.9 401 400.712998412489 0.287001587511099 10 0.318181818181818 1.18181818181818 3 30.9359887065769 29 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +210560.355548 401.1822046 "C19H30O9" "O9" "CHO" 19 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.18948105216 401.18170610554 1.23945175958212 1.24 401 400.734240966348 0.265759033651705 5 0.473684210526316 1.57894736842105 -4 30.9376140429 28 0.9 40 0.8 402.1849531 6093.157014 0 0 0 0 "Unambiguous" +39145.608425 401.1973491 "C23H30O6" "O6" "CHO" 23 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.20462555216 401.19696223864 0.961852090685392 0.96 401 400.749368555864 0.250631444135706 9 0.260869565217391 1.30434782608696 3 30.9387875916 29 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +167859.38994 401.2188797 "C20H34O8" "O8" "CHO" 20 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.22615615216 401.21809161084 1.95931852747137 1.96 401 400.770875114604 0.229124885396004 4 0.4 1.7 -4 30.9404129279231 28 0.9 42 0.8 402.2220707 2516.995569 0 0 0 0 "Unambiguous" +39120.543043 401.2549867 "C21H38O7" "O7" "CHO" 21 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 402.26226315216 401.25447711614 1.26679509045595 1.27 401 400.806941797205 0.193058202794759 3 0.333333333333333 1.80952380952381 -4 30.9432118129462 28 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +79174.030853 403.0312513 "C18H12O11" "O11" "CHO" 18 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.03852775216 403.03068477594 1.40215355981728 1.4 403 402.581223004284 0.418776995715518 13 0.611111111111111 0.666666666666667 2 31.0798431713923 29 0.9 38 0.3 0 0 0 0 0 0 "Unambiguous" +45981.093361 403.0520703 "C15H16O13" "O13" "CHO" 15 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.05934675216 403.05181414814 0.633946132105476 0.63 403 402.602018757603 0.397981242396895 8 0.866666666666667 1.06666666666667 -5 31.0814685077154 28 0.9 32 0.5 0 0 0 0 0 0 "Unambiguous" +401636.716107 403.067651 "C19H16O10" "O10" "CHO" 19 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.07492745216 403.06707028124 1.43715613264006 1.44 403 402.617582060054 0.382417939945697 12 0.526315789473684 0.842105263157895 2 31.0826420564154 29 0.9 40 0.4 404.0709904 18837.395606 0 0 0 0 "Unambiguous" +2780.604232 403.0823344 "C23H16O7" "O7" "CHO" 23 16 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.08961085216 403.08232641434 0.0197621016783842 0.02 403 402.632249064439 0.367750935561332 16 0.304347826086957 0.695652173913043 9 31.0838156051154 30 1 48 0.3 0 0 0 0 0 0 "Unambiguous" +245518.549659 403.088457 "C16H20O12" "O12" "CHO" 16 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.09573345216 403.08819965344 0.636845526128611 0.64 403 402.638364827889 0.361635172111164 7 0.75 1.25 -5 31.0842673927385 28 0.9 34 0.6 404.0925178 7859.628403 0 0 0 0 "Unambiguous" +426859.129362 403.1039602 "C20H20O9" "O9" "CHO" 20 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.11123665216 403.10345578654 1.24820448993193 1.25 403 402.653850716877 0.34614928312277 11 0.45 1 2 31.0854409414385 29 0.9 42 0.5 404.1074723 65959.139733 405.1115379 2546.881402 0 0 "Unambiguous" +235393.134597 403.1251298 "C17H24O11" "O11" "CHO" 17 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.13240625216 403.12458515874 1.34768024441752 1.35 403 402.674996678713 0.325003321287284 6 0.647058823529412 1.41176470588235 -5 31.0870662777615 28 0.9 36 0.7 404.1282286 12537.426124 0 0 0 0 "Unambiguous" +277605.99018 403.1404415 "C21H24O8" "O8" "CHO" 21 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.14771795216 403.13984129184 1.48512074504787 1.49 403 402.690291281532 0.309708718468301 10 0.380952380952381 1.14285714285714 2 31.0882398264615 29 0.9 44 0.5 404.1441232 28868.11488 0 0 0 0 "Unambiguous" +126980.982086 403.1614148 "C18H28O10" "O10" "CHO" 18 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.16869125216 403.16097066404 1.098887592361 1.1 403 402.711241162558 0.288758837442458 5 0.555555555555556 1.55555555555556 -5 31.0898651627846 28 0.9 38 0.7 404.1644112 2918.640766 0 0 0 0 "Unambiguous" +171851.163425 403.1767863 "C22H28O7" "O7" "CHO" 22 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.18406275216 403.17622679714 1.38427739139071 1.38 403 402.726595498603 0.273404501396669 9 0.318181818181818 1.27272727272727 2 31.0910387114846 29 0.9 46 0.6 404.1798384 7024.913715 0 0 0 0 "Unambiguous" +47252.434151 403.1974863 "C19H32O9" "O9" "CHO" 19 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.20476275216 403.19735616934 0.321942421274755 0.32 403 402.747272384798 0.252727615201593 4 0.473684210526316 1.68421052631579 -5 31.0926640478077 28 0.9 40 0.8 404.2004792 2291.816756 0 0 0 0 "Unambiguous" +22391.141335 403.2134703 "C23H32O6" "O6" "CHO" 23 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.22074675216 403.21261230244 2.12259654380412 2.12 403 402.763238536921 0.236761463078835 8 0.260869565217391 1.39130434782609 2 31.0938375965077 29 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +19457.365195 403.2343675 "C20H36O8" "O8" "CHO" 20 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 404.24164395216 403.23374167464 1.54814668254777 1.55 403 402.784112402921 0.215887597078961 3 0.4 1.8 -5 31.0954629328308 28 0.9 42 0.9 0 0 0 0 0 0 "Unambiguous" +253718.775193 405.0467993 "C18H14O11" "O11" "CHO" 18 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.05407575216 405.04633483974 1.14383843858895 1.14 405 404.594520425382 0.405479574618425 12 0.611111111111111 0.777777777777778 1 31.2348931763 29 0.9 38 0.4 406.0497391 7417.265377 0 0 0 0 "Unambiguous" +8964.29463 405.0624754 "C22H14O8" "O8" "CHO" 22 14 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.06975185216 405.06159097284 2.17801783053313 2.18 405 404.610179021308 0.389820978691716 16 0.363636363636364 0.636363636363636 8 31.236066725 30 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +92753.347259 405.0680534 "C15H18O13" "O13" "CHO" 15 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.07532985216 405.06746421194 1.4509329099932 1.45 405 404.615750792864 0.384249207136349 7 0.866666666666667 1.2 -6 31.2365185126231 28 0.9 32 0.6 406.0722553 2603.427465 0 0 0 0 "Unambiguous" +533858.067707 405.0831764 "C19H18O10" "O10" "CHO" 19 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.09045285216 405.08272034504 1.12303787692707 1.12 405 404.630856906387 0.369143093613218 11 0.526315789473684 0.947368421052632 1 31.2376920613231 29 0.9 40 0.4 406.0867476 52140.673057 0 0 0 0 "Unambiguous" +13961.965647 405.0982944 "C23H18O7" "O7" "CHO" 23 18 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.10557085216 405.09797647814 0.782855205235303 0.78 405 404.645958025493 0.354041974507084 15 0.304347826086957 0.782608695652174 8 31.2388656100231 30 1 48 0.4 0 0 0 0 0 0 "Unambiguous" +162900.741678 405.1039992 "C16H22O12" "O12" "CHO" 16 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.11127565216 405.10384971724 0.36808325437381 0.37 405 404.651656455462 0.348343544537784 6 0.75 1.375 -6 31.2393173976462 28 0.9 34 0.6 0 0 0 0 0 0 "Unambiguous" +445880.82187 405.1196347 "C20H22O9" "O9" "CHO" 20 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.12691115216 405.11910585034 1.30217832288566 1.3 405 404.667274496723 0.33272550327672 10 0.45 1.1 1 31.2404909463461 29 0.9 42 0.5 406.1231495 55654.273358 0 0 0 0 "Unambiguous" +87200.069097 405.1406233 "C17H26O11" "O11" "CHO" 17 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.14789975216 405.14023522254 0.955507735578188 0.96 405 404.688239660665 0.311760339334967 5 0.647058823529412 1.52941176470588 -6 31.2421162826692 28 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +291047.761051 405.1558974 "C21H26O8" "O8" "CHO" 21 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.16317385216 405.15549135564 0.999707472555668 1 405 404.703496705469 0.296503294531476 9 0.380952380952381 1.23809523809524 1 31.2432898313692 29 0.9 44 0.6 406.159292 32776.438993 0 0 0 0 "Unambiguous" +12132.060914 405.1771062 "C18H30O10" "O10" "CHO" 18 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.18438265216 405.17662072784 1.19520144246078 1.2 405 404.724681823533 0.27531817646701 4 0.555555555555556 1.66666666666667 -6 31.2449151676923 28 0.9 38 0.8 0 0 0 0 0 0 "Unambiguous" +128276.152948 405.192468 "C22H30O7" "O7" "CHO" 22 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.19974445216 405.19187686094 1.45529156060318 1.46 405 404.74002647041 0.259973529590127 8 0.318181818181818 1.36363636363636 1 31.2460887163923 29 0.9 46 0.7 406.1954227 5828.456812 0 0 0 0 "Unambiguous" +7756.791532 405.2291554 "C23H34O6" "O6" "CHO" 23 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 406.23643185216 405.22826236624 2.19831036801916 2.2 405 404.776672904931 0.223327095068726 7 0.260869565217391 1.47826086956522 1 31.2488876014154 29 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +21120.455185 407.026219 "C17H12O12" "O12" "CHO" 17 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.03349545216 407.02559939824 1.51850710037748 1.52 407 406.571729887661 0.42827011233868 12 0.705882352941177 0.705882352941177 0 31.3871442961846 29 0.9 36 0.3 0 0 0 0 0 0 "Unambiguous" +2271.876251 407.046607 "C14H16O14" "O14" "CHO" 14 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.05388345216 407.04672877044 -0.298417549562308 0.3 407 406.592095122238 0.407904877761666 7 1 1.14285714285714 -7 31.3887696325077 28 0.9 30 0.5 0 0 0 0 0 0 "Unambiguous" +368343.93556 407.0624619 "C18H16O11" "O11" "CHO" 18 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.06973835216 407.06198490354 1.16890917222058 1.17 407 406.607932318515 0.392067681484605 11 0.611111111111111 0.888888888888889 0 31.3899431812077 29 0.9 38 0.4 408.0659205 30340.287884 0 0 0 0 "Unambiguous" +41936.989133 407.0777362 "C22H16O8" "O8" "CHO" 22 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.08501265216 407.07724103664 1.21338286048193 1.21 407 406.623189563096 0.376810436904464 15 0.363636363636364 0.727272727272727 7 31.3911167299077 30 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +51663.584265 407.0830889 "C15H20O13" "O13" "CHO" 15 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.09036535216 407.08311427574 -0.0621816689367743 0.06 407 406.628536286223 0.371463713777132 6 0.866666666666667 1.33333333333333 -7 31.3915685175308 28 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +532388.632841 407.0988195 "C19H20O10" "O10" "CHO" 19 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.10609595216 407.09837040884 1.10042747333551 1.1 407 406.644249321294 0.355750678705647 10 0.526315789473684 1.05263157894737 0 31.3927420662308 29 0.9 40 0.5 408.1024768 62850.720387 409.1052849 2565.074575 0 0 "Unambiguous" +32186.539034 407.1138579 "C23H20O7" "O7" "CHO" 23 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.12113435216 407.11362654194 0.566885761507138 0.57 407 406.659270929283 0.340729070717373 14 0.304347826086957 0.869565217391304 7 31.3939156149308 30 1 48 0.4 0 0 0 0 0 0 "Unambiguous" +40490.52088 407.1191854 "C16H24O12" "O12" "CHO" 16 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.12646185216 407.11949978104 -0.770303004965393 0.77 407 406.664592480548 0.335407519451508 5 0.75 1.5 -7 31.3943674025538 28 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +411253.868882 407.1352693 "C20H24O9" "O9" "CHO" 20 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.14254575216 407.13475591414 1.25785920963316 1.26 407 406.680658421122 0.319341578877925 9 0.45 1.2 0 31.3955409512538 29 0.9 42 0.6 408.138428 41936.792918 0 0 0 0 "Unambiguous" +244481.487204 407.1717323 "C21H28O8" "O8" "CHO" 21 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.17900875216 407.17114141944 1.44760153584376 1.45 407 406.717080706211 0.282919293789462 8 0.380952380952381 1.33333333333333 0 31.3983398362769 29 0.9 44 0.6 408.1753197 7821.229697 0 0 0 0 "Unambiguous" +85184.649317 407.2080418 "C22H32O7" "O7" "CHO" 22 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.21531825216 407.20752692474 1.26128353592412 1.26 407 406.753349662698 0.24665033730156 7 0.318181818181818 1.45454545454545 0 31.4011387213 29 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +7437.121478 407.2445043 "C23H36O6" "O6" "CHO" 23 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 408.25178075216 407.24391243004 1.4497670014873 1.45 407 406.789771448345 0.210228551654779 6 0.260869565217391 1.56521739130435 0 31.4039376063231 29 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +140767.984385 409.0418306 "C17H14O12" "O12" "CHO" 17 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.04910705216 409.04124946204 1.41723991106723 1.42 409 408.585090837742 0.414909162257914 11 0.705882352941177 0.823529411764706 -1 31.5421943010923 29 0.9 36 0.4 410.0452504 4756.343673 0 0 0 0 "Unambiguous" +73946.12576 409.0571901 "C21H14O9" "O9" "CHO" 21 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.06446655216 409.05650559514 1.66926158169207 1.67 409 408.600433187187 0.39956681281285 15 0.428571428571429 0.666666666666667 6 31.5433678497923 30 1 44 0.3 0 0 0 0 0 0 "Unambiguous" +529754.102261 409.0781096 "C18H18O11" "O11" "CHO" 18 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.08538605216 409.07763496734 1.15739959572569 1.16 409 408.621329328287 0.378670671713394 10 0.611111111111111 1 -1 31.5449931861154 29 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +115223.655043 409.0937135 "C22H18O8" "O8" "CHO" 22 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.10098995216 409.09289110044 2.00535863148036 2.01 409 408.636915804832 0.363084195167573 14 0.363636363636364 0.818181818181818 6 31.5461667348154 30 1 46 0.4 0 0 0 0 0 0 "Unambiguous" +9044.965121 409.0983454 "C15H22O13" "O13" "CHO" 15 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.10562185216 409.09876433954 -1.02154059265404 1.02 409 408.641542532812 0.35845746718843 5 0.866666666666667 1.46666666666667 -8 31.5466185224385 28 0.9 32 0.7 0 0 0 0 0 0 "Unambiguous" +489284.48922 409.1144094 "C19H22O10" "O10" "CHO" 19 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.12168585216 409.11402047264 0.94832186012914 0.95 409 408.657588595606 0.342411404394397 9 0.526315789473684 1.15789473684211 -1 31.5477920711385 29 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +27371.523292 409.1297572 "C23H22O7" "O7" "CHO" 23 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.13703365216 409.12927660574 1.17178947663393 1.17 409 408.672919258115 0.327080741885027 13 0.304347826086957 0.956521739130435 6 31.5489656198385 30 1 48 0.5 0 0 0 0 0 0 "Unambiguous" +337183.320413 409.1509318 "C20H26O9" "O9" "CHO" 20 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.15820825216 409.15040597794 1.28199813982352 1.28 409 408.694070214368 0.305929785632486 8 0.45 1.3 -1 31.5505909561615 29 0.9 42 0.6 410.1544555 33231.531889 0 0 0 0 "Unambiguous" +177144.689293 409.1874709 "C21H30O8" "O8" "CHO" 21 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.19474735216 409.18679148324 1.65632730392276 1.66 409 408.730568514482 0.269431485517998 7 0.380952380952381 1.42857142857143 -1 31.5533898411846 29 0.9 44 0.7 410.1902023 9444.863591 0 0 0 0 "Unambiguous" +51142.336567 409.2237564 "C22H34O7" "O7" "CHO" 22 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.23103285216 409.22317698854 1.4124028014046 1.41 409 408.766813497769 0.233186502231433 6 0.318181818181818 1.54545454545455 -1 31.5561887262077 29 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +3395.641425 409.2591363 "C23H38O6" "O6" "CHO" 23 38 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 410.26641275216 409.25956249384 -1.03882215735377 1.04 409 408.802153892256 0.197846107743828 5 0.260869565217391 1.65217391304348 -1 31.5589876112308 29 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +43945.186574 411.0363973 "C20H12O10" "O10" "CHO" 20 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.04367375216 411.03577015364 1.52203856032492 1.52 411 410.577430386746 0.422569613253813 15 0.5 0.6 5 31.6956189696769 30 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +306020.231184 411.0573435 "C17H16O12" "O12" "CHO" 17 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.06461995216 411.05689952584 1.07743819421427 1.08 411 410.598353198032 0.401646801967843 10 0.705882352941177 0.941176470588235 -2 31.697244306 29 0.9 36 0.4 412.061353 12860.842832 0 0 0 0 "Unambiguous" +180561.384956 411.0729126 "C21H16O9" "O9" "CHO" 21 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.08018905216 411.07215565894 1.83687806426943 1.84 411 410.613904913436 0.386095086563955 14 0.428571428571429 0.761904761904762 5 31.6984178547 30 0.9 44 0.4 412.0762232 8405.586216 0 0 0 0 "Unambiguous" +465946.499768 411.0937962 "C18H20O11" "O11" "CHO" 18 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.10107265216 411.09328503114 1.24039681987984 1.24 411 410.634765194622 0.365234805378293 9 0.611111111111111 1.11111111111111 -2 31.7000431910231 29 0.9 38 0.5 412.0973506 22616.702945 413.0997967 8598.964489 0 0 "Unambiguous" +151006.378785 411.1090617 "C22H20O8" "O8" "CHO" 22 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.11633815216 411.10854116424 1.26307964953455 1.26 411 410.650013649028 0.34998635097196 13 0.363636363636364 0.909090909090909 5 31.7012167397231 30 0.9 46 0.4 412.1121172 9677.420908 0 0 0 0 "Unambiguous" +3388.792242 411.1135213 "C15H24O13" "O13" "CHO" 15 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.12079775216 411.11441440334 -2.16709116565252 2.17 411 410.654468269399 0.345531730601181 4 0.866666666666667 1.6 -9 31.7016685273462 28 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +426256.175157 411.1301245 "C19H24O10" "O10" "CHO" 19 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.13740095216 411.12967053644 1.10148595821827 1.1 411 410.671052930117 0.328947069882588 8 0.526315789473684 1.26315789473684 -2 31.7028420760462 29 0.9 40 0.6 412.1337573 32852.634844 413.1362906 2493.174367 0 0 "Unambiguous" +61743.822901 411.1456691 "C23H24O7" "O7" "CHO" 23 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.15294555216 411.14492666954 1.80134697094466 1.8 411 410.686580172878 0.313419827121834 12 0.304347826086957 1.04347826086957 5 31.7040156247462 30 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +4247.022585 411.1496949 "C16H28O12" "O12" "CHO" 16 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.15697135216 411.15079990864 -2.68103833449526 2.68 411 410.690601477634 0.309398522366109 3 0.75 1.75 -9 31.7044674123692 28 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +330168.408693 411.166576 "C20H28O9" "O9" "CHO" 20 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.17385245216 411.16605604174 1.26150229314446 1.26 411 410.707463728047 0.292536271953111 7 0.45 1.4 -2 31.7056409610692 29 0.9 42 0.7 412.1699239 22891.846974 0 0 0 0 "Unambiguous" +29461.547215 411.1817843 "C24H28O6" "O6" "CHO" 24 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.18906075216 411.18131217484 1.14540924288527 1.15 411 410.722655046323 0.277344953676788 11 0.25 1.16666666666667 5 31.7068145097692 30 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +149258.848024 411.2032373 "C21H32O8" "O8" "CHO" 21 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.21051375216 411.20244154704 1.93045284743673 1.93 411 410.744084091712 0.255915908288216 6 0.380952380952381 1.52380952380952 -2 31.7084398460923 29 0.9 44 0.7 412.2059784 3094.689291 0 0 0 0 "Unambiguous" +91560.826646 411.2389608 "C22H36O7" "O7" "CHO" 22 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.24623725216 411.23882705234 0.324436339084898 0.32 411 410.779767702532 0.220232297467533 5 0.318181818181818 1.63636363636364 -2 31.7112387311154 29 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +15558.548731 411.2759869 "C23H40O6" "O6" "CHO" 23 40 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.28326335216 411.27521255764 1.87818043762707 1.88 411 410.816752458859 0.183247541141498 4 0.260869565217391 1.73913043478261 -2 31.7140376161385 29 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +38314.717664 411.3120706 "C24H44O5" "O5" "CHO" 24 44 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 412.31934705216 411.31159806294 1.14604629497109 1.15 411 410.852795867477 0.147204132523257 3 0.208333333333333 1.83333333333333 -2 31.7168365011615 29 0.9 50 0.9 0 0 0 0 0 0 "Unambiguous" +2706.074891 413.0160043 "C19H10O11" "O11" "CHO" 19 10 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.02328075216 413.01503471214 2.34186796999777 2.34 413 412.554826939885 0.445173060114939 15 0.578947368421053 0.526315789473684 4 31.8478700895615 30 0.9 40 0.2 0 0 0 0 0 0 "Unambiguous" +70548.331947 413.0367537 "C16H14O13" "O13" "CHO" 16 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.04403015216 413.03616408434 1.42404096447478 1.42 413 412.57555317092 0.424446829080352 10 0.8125 0.875 -3 31.8494954258846 29 0.9 34 0.4 0 0 0 0 0 0 "Unambiguous" +152950.247722 413.0520046 "C20H14O10" "O10" "CHO" 20 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.05928105216 413.05142021744 1.41134998480398 1.41 413 412.590787041628 0.409212958371597 14 0.5 0.7 4 31.8506689745846 30 0.9 42 0.3 414.0553923 4286.267139 0 0 0 0 "Unambiguous" +339677.219818 413.073038 "C17H18O12" "O12" "CHO" 17 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.08031445216 413.07254958964 1.17950634937827 1.18 413 412.611796955546 0.388203044453917 9 0.705882352941177 1.05882352941176 -3 31.8522943109077 29 0.9 36 0.5 414.076594 16099.6867 415.0788798 3173.719557 0 0 "Unambiguous" +288191.311298 413.0885524 "C21H18O9" "O9" "CHO" 21 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.09582885216 413.08780572274 1.80315088447874 1.8 413 412.627294032028 0.372705967971513 13 0.428571428571429 0.857142857142857 4 31.8534678596077 30 0.9 44 0.4 414.0922233 34153.463792 0 0 0 0 "Unambiguous" +379303.671509 413.1093457 "C18H22O11" "O11" "CHO" 18 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.11662215216 413.10893509494 0.991520354594703 0.99 413 412.648064114044 0.351935885956095 8 0.611111111111111 1.22222222222222 -3 31.8550931959308 29 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +190242.307848 413.1249282 "C22H22O8" "O8" "CHO" 22 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.13220465216 413.12419122804 1.77955723252244 1.78 413 412.663629214485 0.33637078551476 12 0.363636363636364 1 4 31.8562667446308 30 0.9 46 0.5 414.1280001 15575.553641 0 0 0 0 "Unambiguous" +5232.387244 413.1291394 "C15H26O13" "O13" "CHO" 15 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.13641585216 413.13006446714 -2.23372566276404 2.23 413 412.667835712222 0.332164287778312 3 0.866666666666667 1.73333333333333 -10 31.8567185322538 28 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +348506.950828 413.1456798 "C19H26O10" "O10" "CHO" 19 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.15295625216 413.14532060024 0.867311833890707 0.87 413 412.684357643063 0.315642356936735 7 0.526315789473684 1.36842105263158 -3 31.8578920809538 29 0.9 40 0.7 414.149107 52107.073847 0 0 0 0 "Unambiguous" +97423.248803 413.1611615 "C23H26O7" "O7" "CHO" 23 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.16843795216 413.16057673334 1.4119054143159 1.41 413 412.699822056059 0.300177943941264 11 0.304347826086957 1.1304347826087 4 31.8590656296538 30 0.9 48 0.5 414.1644751 11320.773159 0 0 0 0 "Unambiguous" +2171.973628 413.1657404 "C16H30O12" "O12" "CHO" 16 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.17301685216 413.16644997244 -1.71322710824147 1.71 413 412.704395843218 0.295604156781906 2 0.75 1.875 -10 31.8595174172769 28 0.9 34 0.9 0 0 0 0 0 0 "Unambiguous" +280901.669028 413.1819985 "C20H30O9" "O9" "CHO" 20 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.18927495216 413.18170610554 0.705944063984173 0.71 413 412.720635789278 0.27936421072161 6 0.45 1.5 -3 31.8606909659769 29 0.9 42 0.7 414.1857809 21393.080153 0 0 0 0 "Unambiguous" +28094.205155 413.1973967 "C24H30O6" "O6" "CHO" 24 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.20467315216 413.19696223864 1.04890501761028 1.05 413 412.736016795511 0.26398320448925 10 0.25 1.25 4 31.8618645146769 30 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +147719.46662 413.2184037 "C21H34O8" "O8" "CHO" 21 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.22568015216 413.21809161084 0.753427841257814 0.75 413 412.757000338907 0.242999661093165 5 0.380952380952381 1.61904761904762 -3 31.863489851 29 0.9 44 0.8 414.2225268 8915.356299 0 0 0 0 "Unambiguous" +67253.091992 413.2550924 "C22H38O7" "O7" "CHO" 22 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.26236885216 413.25447711614 1.48525163351831 1.49 413 412.793648071977 0.206351928023309 4 0.318181818181818 1.72727272727273 -3 31.8662887360231 29 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +30074.455691 413.2912987 "C23H42O6" "O6" "CHO" 23 42 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.29857515216 413.29086262144 1.05257074530899 1.05 413 412.829813943699 0.170186056301361 3 0.260869565217391 1.82608695652174 -3 31.8690876210462 29 0.9 48 0.9 0 0 0 0 0 0 "Unambiguous" +7033.234335 413.3274511 "C24H46O5" "O5" "CHO" 24 46 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 414.33472755216 413.32724812674 0.489877498944312 0.49 413 412.865925975606 0.134074024394181 2 0.208333333333333 1.91666666666667 -3 31.8718865060692 29 0.9 50 0.9 0 0 0 0 0 0 "Unambiguous" +48489.468996 415.0308991 "C19H12O11" "O11" "CHO" 19 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.03817555216 415.03068477594 0.51515479246026 0.52 415 414.567471890351 0.432528109648899 14 0.578947368421053 0.631578947368421 3 32.0029200944692 30 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +107986.36721 415.0523199 "C16H16O13" "O13" "CHO" 16 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.05959635216 415.05181414814 1.21557551949243 1.22 415 414.588868771694 0.411131228305521 9 0.8125 1 -4 32.0045454307923 29 0.9 34 0.5 0 0 0 0 0 0 "Unambiguous" +347539.483009 415.0676882 "C20H16O10" "O10" "CHO" 20 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.07496465216 415.06707028124 1.48511401185144 1.49 415 414.604219911313 0.395780088686593 13 0.5 0.8 3 32.0057189794923 30 0.9 42 0.4 416.0712317 19531.353339 0 0 0 0 "Unambiguous" +348772.438089 415.0885101 "C17H20O12" "O12" "CHO" 17 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.09578655216 415.08819965344 0.746093976464987 0.75 415 414.625018561394 0.374981438606142 8 0.705882352941177 1.17647058823529 -4 32.0073443158154 29 0.9 36 0.6 416.0922376 11076.624932 417.0956555 3606.207934 0 0 "Unambiguous" +321264.326242 415.1041261 "C21H20O9" "O9" "CHO" 21 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.11140255216 415.10345578654 1.610899042579 1.61 415 414.640617124429 0.359382875571271 12 0.428571428571429 0.952380952380952 3 32.0085178645154 30 0.9 44 0.5 416.107851 34598.767493 0 0 0 0 "Unambiguous" +333803.656683 415.1249756 "C18H24O11" "O11" "CHO" 18 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.13225205216 415.12458515874 0.938262434868406 0.94 415 414.661443343691 0.338556656309208 7 0.611111111111111 1.33333333333333 -4 32.0101432008385 29 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +194250.998389 415.1404964 "C22H24O8" "O8" "CHO" 22 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.14777285216 415.13984129184 1.57422003129745 1.57 415 414.676946813027 0.323053186973141 11 0.363636363636364 1.09090909090909 3 32.0113167495385 30 0.9 46 0.5 416.1435944 23202.950996 0 0 0 0 "Unambiguous" +270728.099464 415.1612983 "C19H28O10" "O10" "CHO" 19 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.16857475216 415.16097066404 0.787267419801741 0.79 415 414.697725485439 0.302274514560509 6 0.526315789473684 1.47368421052632 -4 32.0129420858615 29 0.9 40 0.7 416.1651045 18754.57534 0 0 0 0 "Unambiguous" +114272.512835 415.176849 "C23H28O7" "O7" "CHO" 23 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.18412545216 415.17622679714 1.49501824307482 1.5 415 414.713258821389 0.286741178611067 10 0.304347826086957 1.21739130434783 3 32.0141156345615 30 0.9 48 0.6 416.1801895 5353.331788 0 0 0 0 "Unambiguous" +162210.849473 415.1978126 "C20H32O9" "O9" "CHO" 20 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.20508905216 415.19735616934 1.09664843620932 1.1 415 414.734199013246 0.265800986754073 5 0.45 1.6 -4 32.0157409708846 29 0.9 42 0.8 416.2009237 10120.66672 0 0 0 0 "Unambiguous" +22187.382698 415.213065 "C24H32O6" "O6" "CHO" 24 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.22034145216 415.21261230244 1.08763920186928 1.09 415 414.74943438228 0.250565617720213 9 0.25 1.33333333333333 3 32.0169145195846 30 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +145939.318193 415.2343477 "C21H36O8" "O8" "CHO" 21 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.24162415216 415.23374167464 1.45594607758987 1.46 415 414.770693317827 0.22930668217316 4 0.380952380952381 1.71428571428571 -4 32.0185398559077 29 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +50336.75788 415.27091 "C22H40O7" "O7" "CHO" 22 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 416.27818645216 415.27012717994 1.88052145293024 1.88 415 414.807214792036 0.192785207963937 3 0.318181818181818 1.81818181818182 -4 32.0213387409308 29 0.9 46 0.9 0 0 0 0 0 0 "Unambiguous" +158224.102768 417.0470918 "C19H14O11" "O11" "CHO" 19 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.05436825216 417.04633483974 1.81067420287048 1.81 417 416.58141329157 0.41858670842953 13 0.578947368421053 0.736842105263158 2 32.1579700993769 30 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +159156.135381 417.0678258 "C16H18O13" "O13" "CHO" 16 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.07510225216 417.06746421194 0.864887810956546 0.86 417 416.602124139801 0.397875860199179 8 0.8125 1.125 -5 32.1595954357 29 0.9 34 0.5 0 0 0 0 0 0 "Unambiguous" +416054.482291 417.0833835 "C20H18O10" "O10" "CHO" 20 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.09065995216 417.08272034504 1.58615109961743 1.59 417 416.617664467934 0.382335532065952 12 0.5 0.9 2 32.1607689844 30 0.9 42 0.4 418.086983 62121.226045 419.0893715 3944.149473 0 0 "Unambiguous" +280536.329953 417.1041324 "C17H22O12" "O12" "CHO" 17 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.11140885216 417.10384971724 0.67609434721294 0.68 417 416.638390199527 0.361609800473047 7 0.705882352941177 1.29411764705882 -5 32.1623943207231 29 0.9 36 0.6 418.1081691 13106.851939 0 0 0 0 "Unambiguous" +388224.277122 417.1197219 "C21H22O9" "O9" "CHO" 21 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.12699835216 417.11910585034 1.47335537400491 1.47 417 416.653962292152 0.346037707848041 11 0.428571428571429 1.04761904761905 2 32.1635678694231 30 0.9 44 0.5 418.1229718 29886.273968 0 0 0 0 "Unambiguous" +196337.183149 417.1405882 "C18H26O11" "O11" "CHO" 18 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.14786465216 417.14023522254 0.844145073668351 0.84 417 416.674805292655 0.32519470734502 6 0.611111111111111 1.44444444444444 -5 32.1651932057462 29 0.9 38 0.7 418.1440014 10361.291097 419.1469326 3357.278586 0 0 "Unambiguous" +210456.991837 417.1562779 "C22H26O8" "O8" "CHO" 22 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.16355435216 417.15549135564 1.8809490970612 1.88 417 416.690477473396 0.309522526604212 10 0.363636363636364 1.18181818181818 2 32.1663667544462 30 0.9 46 0.6 418.1590778 28235.112857 0 0 0 0 "Unambiguous" +146018.477085 417.177062 "C19H30O10" "O10" "CHO" 19 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.18433845216 417.17662072784 1.05520967518724 1.06 417 416.711238365684 0.288761634315961 5 0.526315789473684 1.57894736842105 -5 32.1679920907692 29 0.9 40 0.8 418.1803957 3194.915346 0 0 0 0 "Unambiguous" +141820.73426 417.192715 "C23H30O7" "O7" "CHO" 23 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.19999145216 417.19187686094 2.00415848195429 2 417 416.726873887404 0.273126112595548 9 0.304347826086957 1.30434782608696 2 32.1691656394692 30 0.9 48 0.6 418.1962311 7315.752581 0 0 0 0 "Unambiguous" +90441.037301 417.2139854 "C20H34O9" "O9" "CHO" 20 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.22126185216 417.21300623314 2.34126513722351 2.34 417 416.748120536686 0.251879463314253 4 0.45 1.7 -5 32.1707909757923 29 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +18549.044903 417.2294407 "C24H34O6" "O6" "CHO" 24 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.23671715216 417.22826236624 2.8173847767464 2.82 417 416.76355857916 0.236441420840322 8 0.25 1.41666666666667 2 32.1719645244923 30 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +2776.935833 417.2496805 "C21H38O8" "O8" "CHO" 21 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 418.25695695216 417.24939173844 0.690392724377965 0.69 417 416.783775779218 0.216224220781783 3 0.380952380952381 1.80952380952381 -5 32.1735898608154 29 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +31564.027947 419.0257893 "C18H12O12" "O12" "CHO" 18 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.03306575216 419.02559939824 0.45211145378585 0.45 419 418.557901360265 0.442098639734922 13 0.666666666666667 0.666666666666667 1 32.3102212192615 30 0.9 38 0.3 0 0 0 0 0 0 "Unambiguous" +309143.70877 419.0626817 "C19H16O11" "O11" "CHO" 19 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.06995815216 419.06198490354 1.65876289534876 1.66 419 418.594752565882 0.405247434118337 12 0.578947368421053 0.842105263157895 1 32.3130201042846 30 0.9 40 0.4 420.0664763 27834.0497 0 0 0 0 "Unambiguous" +4650.46901 419.0777343 "C23H16O8" "O8" "CHO" 23 16 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.08501075216 419.07724103664 1.1741989057386 1.17 419 418.609788358014 0.390211641985957 16 0.347826086956522 0.695652173913043 8 32.3141936529846 31 1 48 0.3 0 0 0 0 0 0 "Unambiguous" +163776.493522 419.083409 "C16H20O13" "O13" "CHO" 16 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.09068545216 419.08311427574 0.701572946561602 0.7 419 418.615456721593 0.384543278406625 7 0.8125 1.25 -6 32.3146454406077 29 0.9 34 0.6 0 0 0 0 0 0 "Unambiguous" +521603.467111 419.0989145 "C20H20O10" "O10" "CHO" 20 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.10619095216 419.09837040884 1.29512768849182 1.3 419 418.630944908013 0.369055091986525 11 0.5 1 1 32.3158189893077 30 0.9 42 0.5 420.1023186 48425.672186 0 0 0 0 "Unambiguous" +6118.634075 419.1140392 "C24H20O7" "O7" "CHO" 24 20 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.12131565216 419.11362654194 0.982235474877871 0.98 419 418.646052719638 0.353947280361638 15 0.291666666666667 0.833333333333333 8 32.3169925380077 31 1 50 0.4 0 0 0 0 0 0 "Unambiguous" +169846.947535 419.119931 "C17H24O12" "O12" "CHO" 17 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.12720745216 419.11949978104 1.02640093856478 1.03 419 418.651937940802 0.348062059198128 6 0.705882352941177 1.41176470588235 -6 32.3174443256308 29 0.9 36 0.7 420.1235301 3331.152413 0 0 0 0 "Unambiguous" +364999.779449 419.135323 "C21H24O9" "O9" "CHO" 21 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.14259945216 419.13475591414 1.34974615947182 1.35 419 418.667312753957 0.332687246042781 10 0.428571428571429 1.14285714285714 1 32.3186178743308 30 0.9 44 0.5 420.138879 86596.444488 0 0 0 0 "Unambiguous" +54755.140796 419.1563341 "C18H28O11" "O11" "CHO" 18 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.16361055216 419.15588528634 1.06818784094715 1.07 419 418.688300392775 0.311699607224796 5 0.611111111111111 1.55555555555556 -6 32.3202432106538 29 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +231788.748996 419.1716364 "C22H28O8" "O8" "CHO" 22 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.17891285216 419.17114141944 1.17802332498408 1.18 419 418.70358560609 0.296414393909686 9 0.363636363636364 1.27272727272727 1 32.3214167593538 30 0.9 46 0.6 420.175249 31192.388602 0 0 0 0 "Unambiguous" +15252.259212 419.1923195 "C19H32O10" "O10" "CHO" 19 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.19959595216 419.19227079164 0.115917198557619 0.12 419 418.724245611156 0.27575438884395 4 0.526315789473684 1.68421052631579 -6 32.3230420956769 29 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +122968.352146 419.2080968 "C23H32O7" "O7" "CHO" 23 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.21537325216 419.20752692474 1.35615043220509 1.36 419 418.740005294082 0.259994705918018 8 0.304347826086957 1.39130434782609 1 32.3242156443769 30 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +7091.002618 419.2442179 "C24H36O6" "O6" "CHO" 24 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 420.25149435216 419.24391243004 0.726874179259423 0.73 419 418.776086060939 0.223913939060992 7 0.25 1.5 1 32.3270145294 30 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +150105.184583 421.0418246 "C18H14O12" "O12" "CHO" 18 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.04910105216 421.04124946204 1.36272760334354 1.36 421 420.571685537239 0.428314462761307 12 0.666666666666667 0.777777777777778 0 32.4652712241692 30 0.9 38 0.4 422.0451602 7872.460814 0 0 0 0 "Unambiguous" +23562.323667 421.0568661 "C22H14O9" "O9" "CHO" 22 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.06414255216 421.05650559514 0.854147091998921 0.85 421 420.586710241765 0.413289758234612 16 0.409090909090909 0.636363636363636 7 32.4664447728692 31 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +29385.199873 421.0627622 "C15H18O14" "O14" "CHO" 15 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.07003865216 421.06237883424 0.908298919358121 0.91 421 420.592599758128 0.407400241872494 7 0.933333333333333 1.2 -7 32.4668965604923 29 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +475608.786935 421.0782421 "C19H18O11" "O11" "CHO" 19 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.08551855216 421.07763496734 1.4384114909199 1.44 421 420.608062373133 0.391937626867104 11 0.578947368421053 0.947368421052632 0 32.4680701091923 30 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +34275.467754 421.0933576 "C23H18O8" "O8" "CHO" 23 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.10063405216 421.09289110044 1.10518564142541 1.11 421 420.623160995031 0.376839004969497 15 0.347826086956522 0.782608695652174 7 32.4692436578923 31 1 48 0.4 0 0 0 0 0 0 "Unambiguous" +89504.424098 421.098637 "C16H22O13" "O13" "CHO" 16 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.10591345216 421.09876433954 -0.30167674977006 0.3 421 420.628434500005 0.371565499994688 6 0.8125 1.375 -7 32.4696954455154 29 0.9 34 0.6 0 0 0 0 0 0 "Unambiguous" +503759.616588 421.114574 "C20H22O10" "O10" "CHO" 20 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.12185045216 421.11402047264 1.31129757788092 1.31 421 420.644353704609 0.355646295391239 10 0.5 1.1 0 32.4708689942154 30 0.9 42 0.5 422.1182337 88788.675743 0 0 0 0 "Unambiguous" +15799.686015 421.1299566 "C24H22O7" "O7" "CHO" 24 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.13723305216 421.12927660574 1.61083696677781 1.61 421 420.65971912826 0.340280871739822 14 0.291666666666667 0.916666666666667 7 32.4720425429154 31 1 50 0.4 0 0 0 0 0 0 "Unambiguous" +36165.663033 421.1347821 "C17H26O12" "O12" "CHO" 17 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.14205855216 421.13514984484 -0.871140016828737 0.87 421 420.664539240064 0.335460759936211 5 0.705882352941177 1.52941176470588 -7 32.4724943305385 29 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +367944.432502 421.1508593 "C21H26O9" "O9" "CHO" 21 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.15813575216 421.15040597794 1.07382049894787 1.07 421 420.680598488119 0.319401511881381 9 0.428571428571429 1.23809523809524 0 32.4736678792385 30 0.9 44 0.6 422.1543391 33648.904679 0 0 0 0 "Unambiguous" +5900.659014 421.1665071 "C25H26O6" "O6" "CHO" 25 26 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.17378355216 421.16566211104 2.00151926262438 2 421 420.696228815645 0.303771184354673 13 0.24 1.04 7 32.4748414279385 31 1 52 0.5 0 0 0 0 0 0 "Unambiguous" +178524.030262 421.1873987 "C22H30O8" "O8" "CHO" 22 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.19467515216 421.18679148324 1.43823879296763 1.44 421 420.717097087898 0.282902912101861 8 0.363636363636364 1.36363636363636 0 32.4764667642615 30 0.9 46 0.7 422.1916883 7984.744482 0 0 0 0 "Unambiguous" +42118.735976 421.2240413 "C23H34O7" "O7" "CHO" 23 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 422.23131775216 421.22317698854 2.04700936117616 2.05 421 420.753698772444 0.24630122755633 7 0.304347826086957 1.47826086956522 0 32.4792656492846 30 0.9 48 0.7 422.2273813 2577.431211 0 0 0 0 "Unambiguous" +279255.780279 423.0574188 "C18H16O12" "O12" "CHO" 18 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.06469525216 423.05689952584 1.22451636702238 1.22 423 422.585029106748 0.414970893251507 11 0.666666666666667 0.888888888888889 -1 32.6203212290769 30 0.9 38 0.4 424.0604121 12254.236047 425.0641487 2835.699551 0 0 "Unambiguous" +121690.150018 423.0727706 "C22H16O9" "O9" "CHO" 22 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.08004705216 423.07215565894 1.45005893175571 1.45 423 422.600363764791 0.399636235208504 15 0.409090909090909 0.727272727272727 6 32.6214947777769 31 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +4272.709493 423.0779848 "C15H20O14" "O14" "CHO" 15 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.08526125216 423.07802889804 -0.103983901303499 0.1 423 422.605572142569 0.394427857430799 6 0.933333333333333 1.33333333333333 -8 32.6219465654 29 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +547186.661896 423.0938172 "C19H20O11" "O11" "CHO" 19 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.10109365216 423.09328503114 1.25481605201214 1.25 423 422.62138686397 0.37861313603014 10 0.578947368421053 1.05263157894737 -1 32.6231201141 30 0.9 40 0.5 424.0976361 29882.560546 0 0 0 0 "Unambiguous" +84699.806311 423.109202 "C23H20O8" "O8" "CHO" 23 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.11647845216 423.10854116424 1.55814686184951 1.56 423 422.636754485165 0.363245514835228 14 0.347826086956522 0.869565217391304 6 32.6242936628 31 1 48 0.4 0 0 0 0 0 0 "Unambiguous" +28021.333259 423.1138592 "C16H24O13" "O13" "CHO" 16 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.12113565216 423.11441440334 -1.30906784251593 1.31 423 422.641406484894 0.35859351510635 5 0.8125 1.5 -8 32.6247454504231 29 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +483062.886433 423.1302837 "C20H24O10" "O10" "CHO" 20 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.13756015216 423.12967053644 1.44567144624022 1.45 423 422.65781264515 0.342187354849784 9 0.5 1.2 -1 32.6259189991231 30 0.9 42 0.6 424.1335838 41350.090386 425.1363049 3462.248861 0 0 "Unambiguous" +26599.601433 423.1457099 "C24H24O7" "O7" "CHO" 24 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.15298635216 423.14492666954 1.84657537540291 1.85 423 422.673221620117 0.326778379882512 13 0.291666666666667 1 6 32.6270925478231 31 1 50 0.5 0 0 0 0 0 0 "Unambiguous" +9650.710256 423.1503363 "C17H28O12" "O12" "CHO" 17 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.15761275216 423.15079990864 -1.09301030107682 1.09 423 422.677842854238 0.322157145762105 4 0.705882352941177 1.64705882352941 -8 32.6275443354462 29 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +286297.284869 423.1666925 "C21H28O9" "O9" "CHO" 21 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.17396895216 423.16605604174 1.50046515491018 1.5 423 422.694180790759 0.305819209241122 8 0.428571428571429 1.33333333333333 -1 32.6287178841462 30 0.9 44 0.6 424.1702842 26073.242315 0 0 0 0 "Unambiguous" +3195.242139 423.1806757 "C25H28O6" "O6" "CHO" 25 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.18795215216 423.18131217484 -1.50045477901524 1.5 423 422.708148376993 0.291851623007176 12 0.24 1.12 6 32.6298914328462 31 1 52 0.5 0 0 0 0 0 0 "Unambiguous" +157840.066131 423.2031022 "C22H32O8" "O8" "CHO" 22 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.21037865216 423.20244154704 1.55737104333138 1.56 423 422.730549835363 0.269450164637419 7 0.363636363636364 1.45454545454545 -1 32.6315167691692 30 0.9 46 0.7 424.2063815 7473.90776 0 0 0 0 "Unambiguous" +21519.242553 423.2397102 "C23H36O7" "O7" "CHO" 23 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.24698665216 423.23882705234 2.08168281170985 2.08 423 422.767116958543 0.232883041457285 6 0.304347826086957 1.56521739130435 -1 32.6343156541923 30 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +3755.199122 423.2751727 "C24H40O6" "O6" "CHO" 24 40 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 424.28244915216 423.27521255764 -0.093941288702255 0.09 423 422.802539860798 0.197460139201553 5 0.25 1.66666666666667 -1 32.6371145392154 30 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +58804.879247 425.0368035 "C17H14O13" "O13" "CHO" 17 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.04407995216 425.03616408434 1.50082043178261 1.5 425 424.562203608109 0.437796391890515 11 0.764705882352941 0.823529411764706 -2 32.7725723489615 30 0.9 36 0.4 0 0 0 0 0 0 "Unambiguous" +80243.831722 425.0522047 "C21H14O10" "O10" "CHO" 21 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.05948115216 425.05142021744 1.84125126831733 1.84 425 424.577587610992 0.422412389008002 15 0.476190476190476 0.666666666666667 5 32.7737458976615 31 0.9 44 0.3 0 0 0 0 0 0 "Unambiguous" +393403.239719 425.0731244 "C18H18O12" "O12" "CHO" 18 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.08040085216 425.07254958964 1.34906547892311 1.35 425 424.598483951868 0.401516048131953 10 0.666666666666667 1 -2 32.7753712339846 30 0.9 38 0.5 426.076681 23416.967926 427.0786237 8065.665931 0 0 "Unambiguous" +194530.296909 425.0884458 "C22H18O9" "O9" "CHO" 22 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.09572225216 425.08780572274 1.50219123682524 1.5 425 424.613788243856 0.386211756144064 14 0.409090909090909 0.818181818181818 5 32.7765447826846 31 0.9 46 0.4 426.0914803 22295.772684 0 0 0 0 "Unambiguous" +3102.649754 425.0932427 "C15H22O14" "O14" "CHO" 15 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.10051915216 425.09367896184 -1.02384723878684 1.02 425 424.618579787595 0.38142021240543 5 0.933333333333333 1.46666666666667 -9 32.7769965703077 29 0.9 32 0.7 0 0 0 0 0 0 "Unambiguous" +500159.244329 425.1095111 "C19H22O11" "O11" "CHO" 19 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.11678755216 425.10893509494 1.35175397187039 1.35 425 424.634830022154 0.365169977846222 9 0.578947368421053 1.15789473684211 -2 32.7781701190077 30 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +105352.261593 425.124827 "C23H22O8" "O8" "CHO" 23 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.13210345216 425.12419122804 1.49195978158272 1.49 425 424.650128820283 0.349871179717013 13 0.347826086956522 0.956521739130435 5 32.7793436677077 31 0.9 48 0.5 426.1284261 7974.885706 0 0 0 0 "Unambiguous" +6940.543625 425.1292835 "C16H26O13" "O13" "CHO" 16 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.13655995216 425.13006446714 -1.83266871085124 1.83 425 424.654580344115 0.345419655884712 4 0.8125 1.625 -9 32.7797954553308 29 0.9 34 0.8 0 0 0 0 0 0 "Unambiguous" +387949.285986 425.1458187 "C20H26O10" "O10" "CHO" 20 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.15309515216 425.14532060024 1.16882821147867 1.17 425 424.671097080763 0.328902919236725 8 0.5 1.3 -2 32.7809690040308 30 0.9 42 0.6 426.1490139 24080.610088 0 0 0 0 "Unambiguous" +82761.60113 425.1613687 "C24H26O7" "O7" "CHO" 24 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.16864515216 425.16057673334 1.85834098549082 1.86 425 424.686629717494 0.313370282505616 12 0.291666666666667 1.08333333333333 5 32.7821425527308 31 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +2967.136627 425.1653025 "C17H30O12" "O12" "CHO" 17 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.17257895216 425.16644997244 -2.69250650242005 2.69 425 424.690559124978 0.309440875021892 3 0.705882352941177 1.76470588235294 -9 32.7825943403538 29 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +250592.515206 425.1822189 "C21H30O9" "O9" "CHO" 21 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.18949535216 425.18170610554 1.2032076473023 1.2 425 424.707456635975 0.292543364025221 7 0.428571428571429 1.42857142857143 -2 32.7837678890538 30 0.9 44 0.7 426.1857918 17443.200601 0 0 0 0 "Unambiguous" +18958.795829 425.1974844 "C25H30O6" "O6" "CHO" 25 30 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.20476085216 425.19696223864 1.22514201609924 1.23 425 424.722705090381 0.277294909618888 11 0.24 1.2 5 32.7849414377539 31 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +129314.490329 425.2187782 "C22H34O8" "O8" "CHO" 22 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.22605465216 425.21809161084 1.61085685039805 1.61 425 424.743975113534 0.256024886466264 6 0.363636363636364 1.54545454545455 -2 32.7865667740769 30 0.9 46 0.7 426.2220497 7231.949115 0 0 0 0 "Unambiguous" +43928.26862 425.2552246 "C23H38O7" "O7" "CHO" 23 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.26250105216 425.25447711614 1.75357639528158 1.75 425 424.780380817158 0.219619182842052 5 0.304347826086957 1.65217391304348 -2 32.7893656591 30 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +16576.658368 425.2912151 "C24H42O6" "O6" "CHO" 24 42 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.29849155216 425.29086262144 0.826835109610503 0.83 425 424.816331129844 0.183668870155884 4 0.25 1.75 -2 32.7921645441231 30 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +6872.809799 425.328067 "C25H46O5" "O5" "CHO" 25 46 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.33534345216 425.32724812674 1.92072572117857 1.92 425 424.853141880683 0.146858119316676 3 0.2 1.84 -2 32.7949634291462 30 0.9 52 0.9 0 0 0 0 0 0 "Unambiguous" +23348.212076 425.3642087 "C26H50O4" "O4" "CHO" 26 50 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 426.37148515216 425.36363363204 1.34874863834536 1.35 425 424.889243224538 0.110756775461709 2 0.153846153846154 1.92307692307692 -2 32.7977623141692 30 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +21146.265403 427.0317537 "C20H12O11" "O11" "CHO" 20 12 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.03903015216 427.03068477594 2.49725839166411 2.5 427 426.554926228894 0.445073771105854 15 0.55 0.6 4 32.9259970175462 31 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +146118.744103 427.0523709 "C17H16O13" "O13" "CHO" 17 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.05964735216 427.05181414814 1.30064084167065 1.3 427 426.575520407544 0.424479592455555 10 0.764705882352941 0.941176470588235 -3 32.9276223538692 30 0.9 36 0.4 0 0 0 0 0 0 "Unambiguous" +244751.352005 427.0678719 "C21H16O10" "O10" "CHO" 21 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.07514835216 427.06707028124 1.87261223420902 1.87 427 426.591004098989 0.408995901010655 14 0.476190476190476 0.761904761904762 4 32.9287959025692 31 0.9 44 0.4 428.071119 24637.467667 0 0 0 0 "Unambiguous" +390548.635274 427.0886965 "C18H20O12" "O12" "CHO" 18 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.09597295216 427.08819965344 1.16059620129337 1.16 427 426.611805446055 0.388194553945027 9 0.666666666666667 1.11111111111111 -3 32.9304212388923 30 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +276793.854783 427.1041343 "C22H20O9" "O9" "CHO" 22 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.11141075216 427.10345578654 1.5848992644465 1.58 427 426.62722600807 0.372773991930444 13 0.409090909090909 0.909090909090909 4 32.9315947875923 31 0.9 46 0.4 428.1077145 37296.920222 0 0 0 0 "Unambiguous" +2239.241025 427.1089257 "C15H24O14" "O14" "CHO" 15 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.11620215216 427.10932902564 -0.942093847438298 0.94 427 426.632012057949 0.367987942050547 4 0.933333333333333 1.6 -10 32.9320465752154 29 0.9 32 0.8 0 0 0 0 0 0 "Unambiguous" +384346.414913 427.1250767 "C19H24O11" "O11" "CHO" 19 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.13235315216 427.12458515874 1.14810585187869 1.15 427 426.648145023599 0.351854976401398 8 0.578947368421053 1.26315789473684 -3 32.9332201239154 30 0.9 40 0.6 428.1287577 50061.035586 429.1315857 8850.969746 0 0 "Unambiguous" +164734.779551 427.1405577 "C23H24O8" "O8" "CHO" 23 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.14783415216 427.13984129184 1.67327288106606 1.67 427 426.663608737376 0.336391262624318 12 0.347826086956522 1.04347826086957 4 32.9343936726154 31 0.9 48 0.5 428.1430862 6287.714995 0 0 0 0 "Unambiguous" +353235.631621 427.1613714 "C20H28O10" "O10" "CHO" 20 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.16864785216 427.16097066404 0.935930180938368 0.94 427 426.684399196612 0.315600803387667 7 0.5 1.4 -3 32.9360190089385 30 0.9 42 0.7 428.1655882 29837.093708 0 0 0 0 "Unambiguous" +90027.938313 427.1770394 "C24H28O7" "O7" "CHO" 24 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.18431585216 427.17622679714 1.89778754137699 1.9 427 426.700049701584 0.299950298416434 11 0.291666666666667 1.16666666666667 4 32.9371925576385 31 0.9 50 0.6 428.1810304 5861.217143 0 0 0 0 "Unambiguous" +244012.788005 427.1979066 "C21H32O9" "O9" "CHO" 21 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.20518305216 427.19735616934 1.2854367061092 1.29 427 426.720893601082 0.279106398918373 6 0.428571428571429 1.52380952380952 -3 32.9388178939615 30 0.9 44 0.7 428.2015514 16298.77349 0 0 0 0 "Unambiguous" +13814.142713 427.2130713 "C25H32O6" "O6" "CHO" 25 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.22034775216 427.21261230244 1.07187237234403 1.07 427 426.736041368042 0.263958631957848 10 0.24 1.28 4 32.9399914426615 31 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +161270.225549 427.2342309 "C22H36O8" "O8" "CHO" 22 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.24150735216 427.23374167464 1.14240528209931 1.14 427 426.757177341044 0.242822658956243 5 0.363636363636364 1.63636363636364 -3 32.9416167789846 30 0.9 46 0.8 428.2376455 5242.745719 0 0 0 0 "Unambiguous" +71596.326462 427.2710582 "C23H40O7" "O7" "CHO" 23 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.27833465216 427.27012717994 2.17386681672493 2.17 427 426.793963519352 0.206036480648436 4 0.304347826086957 1.73913043478261 -3 32.9444156640077 30 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +64810.01733 427.3069757 "C24H44O6" "O6" "CHO" 24 44 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 428.31425215216 427.30651268524 1.08101646783961 1.08 427 426.82984091355 0.170159086449814 3 0.25 1.83333333333333 -3 32.9472145490308 30 0.9 50 0.9 428.3103557 5101.272075 0 0 0 0 "Unambiguous" +9435.257975 429.0317148 "C16H14O14" "O14" "CHO" 16 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.03899125216 429.03107870664 1.47915275813194 1.48 429 428.552654154463 0.447345845536972 10 0.875 0.875 -4 33.0798734737538 30 0.9 34 0.4 0 0 0 0 0 0 "Unambiguous" +128096.447254 429.0470863 "C20H14O11" "O11" "CHO" 20 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.05436275216 429.04633483974 1.74736108987796 1.75 429 428.568008490509 0.431991509491183 14 0.55 0.7 3 33.0810470224538 31 0.9 42 0.3 430.0503608 10559.865313 0 0 0 0 "Unambiguous" +206609.969144 429.0679564 "C17H18O13" "O13" "CHO" 17 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.07523285216 429.06746421194 1.14442316701729 1.14 429 428.588855286769 0.411144713231295 9 0.764705882352941 1.05882352941176 -4 33.0826723587769 30 0.9 36 0.5 0 0 0 0 0 0 "Unambiguous" +372001.310476 429.0834548 "C21H18O10" "O10" "CHO" 21 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.09073125216 429.08272034504 1.70767446647012 1.71 429 428.604336381117 0.395663618883191 13 0.476190476190476 0.857142857142857 3 33.0838459074769 31 0.9 44 0.4 430.0866693 54769.335738 0 0 0 0 "Unambiguous" +363377.939016 429.1042882 "C18H22O12" "O12" "CHO" 18 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.11156465216 429.10384971724 1.01946284644512 1.02 429 428.625146518356 0.374853481643754 8 0.666666666666667 1.22222222222222 -4 33.0854712438 30 0.9 38 0.6 430.1078535 11995.826953 431.1109827 6019.215679 0 0 "Unambiguous" +294190.538268 429.1198951 "C22H22O9" "O9" "CHO" 22 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.12717155216 429.11910585034 1.83492165165176 1.83 429 428.640735991552 0.359264008447724 12 0.409090909090909 1 3 33.0866447925 31 0.9 46 0.5 430.1229752 39872.589083 0 0 0 0 "Unambiguous" +337749.051617 429.1407592 "C19H26O11" "O11" "CHO" 19 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.14803565216 429.14023522254 1.21813286717168 1.22 429 428.661576794512 0.338423205488198 7 0.578947368421053 1.36842105263158 -4 33.0882701288231 30 0.9 40 0.7 430.1440927 16271.948363 0 0 0 0 "Unambiguous" +177520.527699 429.1564594 "C23H26O8" "O8" "CHO" 23 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.16373585216 429.15549135564 2.25040904031902 2.25 429 428.677259463528 0.322740536471713 11 0.347826086956522 1.1304347826087 3 33.0894436775231 31 0.9 48 0.5 430.1602666 5858.502686 0 0 0 0 "Unambiguous" +262237.720923 429.1770879 "C20H30O10" "O10" "CHO" 20 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.18436435216 429.17662072784 1.08598126451107 1.09 429 428.697864929561 0.302135070439135 6 0.5 1.5 -4 33.0910690138462 30 0.9 42 0.7 430.1807248 13129.549717 0 0 0 0 "Unambiguous" +131946.471621 429.1927233 "C24H30O7" "O7" "CHO" 24 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.19999975216 429.19187686094 1.96754779288728 1.97 429 428.713482870934 0.286517129066453 10 0.291666666666667 1.25 3 33.0922425625462 31 0.9 50 0.6 430.1955659 8538.117286 0 0 0 0 "Unambiguous" +167061.870185 429.2135684 "C21H34O9" "O9" "CHO" 21 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.22084485216 429.21300623314 1.30669368237159 1.31 429 428.734304695109 0.265695304891381 5 0.428571428571429 1.61904761904762 -4 33.0938678988692 30 0.9 44 0.8 430.2165556 5987.388837 0 0 0 0 "Unambiguous" +11628.90205 429.2286463 "C25H34O6" "O6" "CHO" 25 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.23592275216 429.22826236624 0.892379598400239 0.89 429 428.749365758991 0.250634241009209 9 0.24 1.36 3 33.0950414475692 31 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +122661.40616 429.2499959 "C22H38O8" "O8" "CHO" 22 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.25727235216 429.24939173844 1.40418674778959 1.4 429 428.770691519837 0.229308480163297 4 0.363636363636364 1.72727272727273 -4 33.0966667838923 30 0.9 46 0.8 430.2532361 4340.333688 0 0 0 0 "Unambiguous" +13879.952602 429.2855999 "C23H42O7" "O7" "CHO" 23 42 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 430.29287635216 429.28577724374 -0.412146585954919 0.41 429 428.806255764092 0.193744235907729 3 0.304347826086957 1.82608695652174 -4 33.0994656689154 30 0.9 48 0.9 0 0 0 0 0 0 "Unambiguous" +26906.090135 431.0267508 "C19H12O12" "O12" "CHO" 19 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.03402725216 431.02559939824 2.66507193272539 2.67 431 430.545462479443 0.454537520557381 14 0.631578947368421 0.631578947368421 2 33.2332981423385 31 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +10608.744924 431.0474924 "C16H16O14" "O14" "CHO" 16 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.05476885216 431.04672877044 1.76743694336516 1.77 431 430.566180919187 0.433819080813237 9 0.875 1 -5 33.2349234786615 30 0.9 34 0.5 0 0 0 0 0 0 "Unambiguous" +275445.682621 431.0626867 "C20H16O11" "O11" "CHO" 20 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.06996315216 431.06198490354 1.62426578983667 1.62 431 430.581358253096 0.418641746904427 13 0.55 0.8 2 33.2360970273615 31 0.9 42 0.4 432.0661811 33488.153718 0 0 0 0 "Unambiguous" +241563.236731 431.0835279 "C17H20O13" "O13" "CHO" 17 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.09080435216 431.08311427574 0.957262352752899 0.96 431 430.602176181626 0.397823818374491 8 0.764705882352941 1.17647058823529 -5 33.2377223636846 30 0.9 36 0.6 432.0868687 6991.557853 433.0902511 2741.810189 0 0 "Unambiguous" +449072.3094 431.0989493 "C21H20O10" "O10" "CHO" 21 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.10622575216 431.09837040884 1.33969641154441 1.34 431 430.617580361953 0.382419638047452 12 0.476190476190476 0.952380952380952 2 33.2388959123846 31 0.9 44 0.5 432.1025057 58519.584851 0 0 0 0 "Unambiguous" +251613.185554 431.1199854 "C18H24O12" "O12" "CHO" 18 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.12726185216 431.11949978104 1.12378690938061 1.12 431 430.638592972855 0.361407027144651 7 0.666666666666667 1.33333333333333 -5 33.2405212487077 30 0.9 38 0.6 432.1239084 16502.066995 0 0 0 0 "Unambiguous" +294455.256609 431.1355645 "C22H24O9" "O9" "CHO" 22 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.14284095216 431.13475591414 1.87110784530914 1.87 431 430.654154677093 0.345845322906939 11 0.409090909090909 1.09090909090909 2 33.2416947974077 31 0.9 46 0.5 432.1391542 35533.449388 0 0 0 0 "Unambiguous" +237962.496012 431.1563168 "C19H28O11" "O11" "CHO" 19 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.16359325216 431.15588528634 0.998496094465778 1 431 430.67488380489 0.325116195110468 6 0.578947368421053 1.47368421052632 -5 33.2433201337308 30 0.9 40 0.7 432.1605828 2296.109412 0 0 0 0 "Unambiguous" +188414.677008 431.1719224 "C23H28O8" "O8" "CHO" 23 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.17919885216 431.17114141944 1.80707577342319 1.81 431 430.690471979537 0.309528020462835 10 0.347826086956522 1.21739130434783 2 33.2444936824308 31 0.9 48 0.6 432.1749543 29808.660662 0 0 0 0 "Unambiguous" +153912.655985 431.1928585 "C20H32O10" "O10" "CHO" 20 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.20013495216 431.19227079164 1.35980605389276 1.36 431 430.711384702101 0.288615297899128 5 0.5 1.6 -5 33.2461190187538 30 0.9 42 0.8 432.196085 6391.004682 0 0 0 0 "Unambiguous" +108694.758147 431.2078874 "C24H32O7" "O7" "CHO" 24 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.21516385216 431.20752692474 0.834018077536563 0.83 431 430.726396820697 0.273603179303166 9 0.291666666666667 1.33333333333333 2 33.2472925674538 31 0.9 50 0.6 432.2113394 4785.861136 0 0 0 0 "Unambiguous" +82384.819287 431.2287808 "C21H36O9" "O9" "CHO" 21 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.23605725216 431.22865629694 0.288044132211347 0.29 431 430.74726689094 0.252733109060273 4 0.428571428571429 1.71428571428571 -5 33.2489179037769 30 0.9 44 0.8 432.2324427 2848.26156 0 0 0 0 "Unambiguous" +6520.564093 431.2448284 "C25H36O6" "O6" "CHO" 25 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.25210485216 431.24391243004 2.11906419830266 2.12 431 430.763296572046 0.236703427953728 8 0.24 1.44 2 33.2500914524769 31 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +6750.473548 431.2658242 "C22H40O8" "O8" "CHO" 22 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 432.27310065216 431.26504180224 1.80996170888825 1.81 431 430.784268927948 0.215731072051597 3 0.363636363636364 1.81818181818182 -5 33.2517167888 30 0.9 46 0.9 0 0 0 0 0 0 "Unambiguous" +120186.762284 433.0418727 "C19H14O12" "O12" "CHO" 19 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.04914915216 433.04124946204 1.43586955809608 1.44 433 432.558334276327 0.441665723673225 13 0.631578947368421 0.736842105263158 1 33.3883481472462 31 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +4461.586581 433.0570187 "C23H14O9" "O9" "CHO" 23 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.06429515216 433.05650559514 1.18209414080797 1.18 433 432.573463364168 0.426536635832122 17 0.391304347826087 0.608695652173913 8 33.3895216959462 32 1 48 0.3 0 0 0 0 0 0 "Unambiguous" +60804.705814 433.0626414 "C16H18O14" "O14" "CHO" 16 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.06991785216 433.06237883424 0.60489278158186 0.6 433 432.579079785811 0.420920214189152 8 0.875 1.125 -6 33.3899734835692 30 0.9 34 0.5 0 0 0 0 0 0 "Unambiguous" +445611.716891 433.0782405 "C20H18O11" "O11" "CHO" 20 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.08551695216 433.07763496734 1.39496167545334 1.39 433 432.594661467716 0.405338532283565 12 0.55 0.9 1 33.3911470322692 31 0.9 42 0.4 434.0816547 40474.903795 0 0 0 0 "Unambiguous" +2794.771583 433.0931465 "C24H18O8" "O8" "CHO" 24 18 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.10042295216 433.09289110044 0.588342112759935 0.59 433 432.609550823544 0.390449176456343 16 0.333333333333333 0.75 8 33.3923205809692 32 1 50 0.4 0 0 0 0 0 0 "Unambiguous" +177192.002765 433.0988994 "C17H22O13" "O13" "CHO" 17 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.10617585216 433.09876433954 0.311123101860485 0.31 433 432.615297299804 0.384702700195874 7 0.764705882352941 1.29411764705882 -6 33.3927723685923 30 0.9 36 0.6 0 0 0 0 0 0 "Unambiguous" +485531.354268 433.1146141 "C21H22O10" "O10" "CHO" 21 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.12189055216 433.11402047264 1.36742093169232 1.37 433 432.63099445263 0.369005547370307 11 0.476190476190476 1.04761904761905 1 33.3939459172923 31 0.9 44 0.5 434.118065 86796.896592 0 0 0 0 "Unambiguous" +4286.430936 433.1294757 "C25H22O7" "O7" "CHO" 25 22 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.13675215216 433.12927660574 0.458598031733272 0.46 433 432.645839458034 0.354160541965598 15 0.28 0.88 8 33.3951194659923 32 1 52 0.4 0 0 0 0 0 0 "Unambiguous" +175097.141115 433.1358977 "C18H26O12" "O12" "CHO" 18 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.14317415216 433.13514984484 1.72260029530739 1.72 433 432.652254287172 0.347745712828214 6 0.666666666666667 1.44444444444444 -6 33.3955712536154 30 0.9 38 0.7 434.1389877 5699.402631 0 0 0 0 "Unambiguous" +317802.367482 433.15087 "C22H26O9" "O9" "CHO" 22 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.15814645216 433.15040597794 1.06878579563375 1.07 433 432.667209868968 0.332790131032141 10 0.409090909090909 1.18181818181818 1 33.3967448023154 31 0.9 46 0.6 434.1546898 41929.898478 0 0 0 0 "Unambiguous" +56992.838993 433.1720563 "C19H30O11" "O11" "CHO" 19 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.17933275216 433.17153535014 1.19984951080389 1.2 433 432.688372512156 0.311627487843964 5 0.578947368421053 1.57894736842105 -6 33.3983701386385 30 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +223431.603581 433.1874182 "C23H30O8" "O8" "CHO" 23 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.19469465216 433.18679148324 1.44340031721919 1.44 433 432.703717258921 0.296282741078699 9 0.347826086956522 1.30434782608696 1 33.3995436873385 31 0.9 48 0.6 434.1911112 14269.762768 0 0 0 0 "Unambiguous" +20319.932236 433.2080686 "C20H34O10" "O10" "CHO" 20 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.21534505216 433.20792085544 0.340256422781818 0.34 433 432.7243446005 0.275655399499897 4 0.5 1.7 -6 33.4011690236615 30 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +105054.458236 433.2240349 "C24H34O7" "O7" "CHO" 24 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.23131135216 433.22317698854 1.9757015156991 1.98 433 432.740293072387 0.259706927613081 8 0.291666666666667 1.41666666666667 1 33.4023425723615 31 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +4388.675679 433.2439679 "C21H38O9" "O9" "CHO" 21 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.25124435216 433.24430636074 -0.779412251347015 0.78 433 432.760203815021 0.239796184978957 3 0.428571428571429 1.80952380952381 -6 33.4039679086846 30 0.9 44 0.9 0 0 0 0 0 0 "Unambiguous" +3630.069344 433.260311 "C25H38O6" "O6" "CHO" 25 38 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 434.26758745216 433.25956249384 1.72360586334601 1.72 433 432.77652866617 0.223471333830389 7 0.24 1.52 1 33.4051414573846 31 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +4537.462562 435.0368492 "C22H12O10" "O10" "CHO" 22 12 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.04412565216 435.03577015364 2.47462652639779 2.47 435 434.551083167745 0.448916832255406 17 0.454545454545455 0.545454545454545 7 33.5417728158308 32 1 46 0.3 0 0 0 0 0 0 "Unambiguous" +285180.315719 435.0574258 "C19H16O12" "O12" "CHO" 19 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.06470225216 435.05689952584 1.20687172632155 1.21 435 434.571636791729 0.42836320827081 12 0.631578947368421 0.842105263157895 0 33.5433981521538 31 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +24230.623514 435.073009 "C23H16O9" "O9" "CHO" 23 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.08028545216 435.07215565894 1.95684393098211 1.96 435 434.587202591389 0.412797408611084 16 0.391304347826087 0.695652173913043 7 33.5445717008538 32 1 48 0.3 0 0 0 0 0 0 "Unambiguous" +60636.458454 435.0779416 "C16H20O14" "O14" "CHO" 16 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.08521805216 435.07802889804 -0.200185735233896 0.2 435 434.592129683604 0.407870316396384 7 0.875 1.25 -7 33.5450234884769 30 0.9 34 0.6 0 0 0 0 0 0 "Unambiguous" +567115.027388 435.093871 "C20H20O11" "O11" "CHO" 20 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.10114745216 435.09328503114 1.34365356157229 1.34 435 434.608041296693 0.391958703306727 11 0.55 1 0 33.5461970371769 31 0.9 42 0.5 436.0975855 81251.138078 437.1005031 2198.305512 0 0 "Unambiguous" +38731.867741 435.108829 "C24H20O8" "O8" "CHO" 24 20 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.11610545216 435.10854116424 0.659998006018867 0.66 435 434.622982594457 0.377017405543086 15 0.333333333333333 0.833333333333333 7 33.5473705858769 32 1 50 0.4 0 0 0 0 0 0 "Unambiguous" +118896.109579 435.1147479 "C17H24O13" "O13" "CHO" 17 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.12202435216 435.11441440334 0.764686581697941 0.76 435 434.62889488536 0.371105114639704 6 0.764705882352941 1.41176470588235 -7 33.5478223735 30 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +510311.934859 435.1302482 "C21H24O10" "O10" "CHO" 21 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.13752465216 435.12967053644 1.32449864392344 1.32 435 434.644377877587 0.355622122413195 10 0.476190476190476 1.14285714285714 0 33.5489959222 31 0.9 44 0.5 436.1338017 71794.582825 0 0 0 0 "Unambiguous" +12002.722541 435.145276 "C25H24O7" "O7" "CHO" 25 24 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.15255245216 435.14492666954 0.800936411069213 0.8 435 434.659388897411 0.340611102588866 14 0.28 0.96 7 33.5501694709 32 1 52 0.5 0 0 0 0 0 0 "Unambiguous" +26643.474301 435.1510938 "C18H28O12" "O12" "CHO" 18 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.15837025216 435.15079990864 0.673817998338534 0.67 435 434.665200201204 0.334799798796382 5 0.666666666666667 1.55555555555556 -7 33.5506212585231 30 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +330646.396792 435.1666767 "C22H28O9" "O9" "CHO" 22 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.17395315216 435.16605604174 1.4229603934828 1.42 435 434.680765701198 0.319234298801746 9 0.409090909090909 1.27272727272727 0 33.5517948072231 31 0.9 46 0.6 436.1692403 21395.585939 0 0 0 0 "Unambiguous" +2156.853913 435.1823745 "C26H28O6" "O6" "CHO" 26 28 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.18965095216 435.18131217484 2.43546621901556 2.44 435 434.696445972895 0.303554027105463 13 0.230769230769231 1.07692307692308 7 33.5529683559231 32 1 54 0.5 0 0 0 0 0 0 "Unambiguous" +6545.925137 435.1874386 "C19H32O11" "O11" "CHO" 19 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.19471505216 435.18718541394 0.58044275021852 0.58 435 434.701504418275 0.298495581724751 4 0.578947368421053 1.68421052631579 -7 33.5534201435461 30 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +175148.970577 435.2032578 "C23H32O8" "O8" "CHO" 23 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.21053425216 435.20244154704 1.87123624013502 1.87 435 434.717305954415 0.282694045584776 8 0.347826086956522 1.39130434782609 0 33.5545936922462 31 0.9 48 0.7 436.2065602 9559.822452 0 0 0 0 "Unambiguous" +61213.054184 435.2394753 "C24H36O7" "O7" "CHO" 24 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 436.24675175216 435.23882705234 1.48596558580752 1.49 435 434.753483013631 0.246516986368874 7 0.291666666666667 1.5 0 33.5573925772692 31 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +40599.389664 437.0369925 "C18H14O13" "O13" "CHO" 18 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.04426895216 437.03616408434 1.8911688126669 1.89 437 436.548993089867 0.451006910132605 12 0.722222222222222 0.777777777777778 -1 33.6956492720385 31 0.9 38 0.4 0 0 0 0 0 0 "Unambiguous" +54286.676589 437.0522928 "C22H14O10" "O10" "CHO" 22 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.05956925216 437.05142021744 1.99192671789025 1.99 437 436.564276305416 0.43572369458434 16 0.454545454545455 0.636363636363636 6 33.6968228207385 32 0.9 46 0.3 0 0 0 0 0 0 "Unambiguous" +3572.784525 437.0580104 "C15H18O15" "O15" "CHO" 15 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.06528685216 437.05729345654 1.63661326641936 1.64 437 436.569987521092 0.430012478907543 7 1 1.2 -8 33.6972746083615 30 0.9 32 0.6 0 0 0 0 0 0 "Unambiguous" +450803.068303 437.0731241 "C19H18O12" "O12" "CHO" 19 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.08040055216 437.07254958964 1.31142675933606 1.31 437 436.585084345 0.414915655000016 11 0.631578947368421 0.947368421052632 -1 33.6984481570615 31 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +99595.250475 437.0886154 "C23H18O9" "O9" "CHO" 23 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.09589185216 437.08780572274 1.84817359639061 1.85 437 436.600558347276 0.399441652723965 15 0.391304347826087 0.782608695652174 6 33.6996217057615 32 0.9 48 0.4 438.0914035 9427.473026 0 0 0 0 "Unambiguous" +26425.331783 437.0938228 "C16H22O14" "O14" "CHO" 16 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.10109925216 437.09367896184 0.328321842253224 0.33 437 436.605759932647 0.39424006735328 6 0.875 1.375 -8 33.7000734933846 30 0.9 34 0.6 0 0 0 0 0 0 "Unambiguous" +545085.497354 437.1094568 "C20H22O11" "O11" "CHO" 20 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.11673325216 437.10893509494 1.19079008038986 1.19 437 436.621376475583 0.378623524417378 10 0.55 1.1 -1 33.7012470420846 31 0.9 42 0.5 438.1129154 76865.197337 0 0 0 0 "Unambiguous" +64605.391306 437.1252405 "C24H22O8" "O8" "CHO" 24 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.13251695216 437.12419122804 2.39487351298895 2.39 437 436.637142551362 0.362857448637783 14 0.333333333333333 0.916666666666667 6 33.7024205907846 32 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +6348.769449 437.1298545 "C17H26O13" "O13" "CHO" 17 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.13713095216 437.13006446714 -0.47922699334228 0.48 437 436.641751399329 0.358248600671402 5 0.764705882352941 1.52941176470588 -8 33.7028723784077 30 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +440908.440485 437.1457845 "C21H26O10" "O10" "CHO" 21 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.15306095216 437.14532060024 1.05876188334441 1.06 437 436.657663611748 0.342336388251738 9 0.476190476190476 1.23809523809524 -1 33.7040459271077 31 0.9 44 0.6 438.1493865 50490.208253 0 0 0 0 "Unambiguous" +27428.949572 437.161291 "C25H26O7" "O7" "CHO" 25 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.16856745216 437.16057673334 1.6301184362694 1.63 437 436.673152797052 0.326847202948159 13 0.28 1.04 6 33.7052194758077 32 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +262881.307239 437.1822654 "C22H30O9" "O9" "CHO" 22 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.18954185216 437.18170610554 1.27637564703133 1.28 437 436.694103776849 0.305896223150569 8 0.409090909090909 1.36363636363636 -1 33.7068448121308 31 0.9 46 0.7 438.1858135 25203.375494 0 0 0 0 "Unambiguous" +125410.481361 437.2187497 "C23H34O8" "O8" "CHO" 23 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.22602615216 437.21809161084 1.50171172111347 1.5 437 436.730547338154 0.269452661845889 7 0.347826086956522 1.47826086956522 -1 33.7096436971539 31 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +19707.567789 437.2546321 "C24H38O7" "O7" "CHO" 24 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 438.26190855216 437.25447711614 0.353632969180247 0.35 437 436.766389671546 0.23361032845429 6 0.291666666666667 1.58333333333333 -1 33.7124425821769 31 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +189045.560301 439.05273 "C18H16O13" "O13" "CHO" 18 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.06000645216 439.05181414814 2.0811976697675 2.08 439 438.562479799367 0.437520200632889 11 0.722222222222222 0.888888888888889 -2 33.8506992769462 31 0.9 38 0.4 440.0558773 6158.976165 0 0 0 0 "Unambiguous" +159515.850642 439.0681162 "C22H16O10" "O10" "CHO" 22 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.07539265216 439.06707028124 2.37668085389098 2.38 439 438.577848818999 0.422151181001254 15 0.454545454545455 0.727272727272727 5 33.8518728256462 32 0.9 46 0.3 440.0708584 9948.118948 0 0 0 0 "Unambiguous" +497968.469423 439.0888394 "C19H20O12" "O12" "CHO" 19 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.09611585216 439.08819965344 1.45365191127865 1.45 439 438.598548879288 0.401451120711556 10 0.631578947368421 1.05263157894737 -2 33.8534981619692 31 0.9 40 0.5 440.0923079 60986.641374 441.0952552 6447.52249 0 0 "Unambiguous" +187262.549228 439.1041999 "C23H20O9" "O9" "CHO" 23 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.11147635216 439.10345578654 1.69073859695148 1.69 439 438.613892227617 0.386107772383014 14 0.391304347826087 0.869565217391304 5 33.8546717106692 32 0.9 48 0.4 440.1078451 9690.118251 0 0 0 0 "Unambiguous" +2908.215352 439.1095082 "C16H24O14" "O14" "CHO" 16 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.11678465216 439.10932902564 0.407106400435659 0.41 439 438.619194600322 0.380805399678252 5 0.875 1.5 -9 33.8551234982923 30 0.9 34 0.7 0 0 0 0 0 0 "Unambiguous" +433564.719809 439.1251762 "C20H24O11" "O11" "CHO" 20 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.13245265216 439.12458515874 1.34287134803908 1.34 439 438.634845105293 0.365154894707018 9 0.55 1.2 -2 33.8562970469923 31 0.9 42 0.6 440.1283628 44683.076981 0 0 0 0 "Unambiguous" +122762.68021 439.1406704 "C24H24O8" "O8" "CHO" 24 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.14794685216 439.13984129184 1.88370334541348 1.88 439 438.650322004331 0.349677995669197 13 0.333333333333333 1 5 33.8574705956923 32 0.9 50 0.5 440.1427082 2786.507947 0 0 0 0 "Unambiguous" +4065.958307 439.1450241 "C17H28O13" "O13" "CHO" 17 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.15230055216 439.14571453094 -1.56861826944165 1.57 439 438.654670842951 0.345329157049434 4 0.764705882352941 1.64705882352941 -9 33.8579223833154 30 0.9 36 0.8 0 0 0 0 0 0 "Unambiguous" +353883.194165 439.1616777 "C21H28O10" "O10" "CHO" 21 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.16895415216 439.16097066404 1.60628311779798 1.61 439 438.671305847392 0.328694152608023 8 0.476190476190476 1.33333333333333 -2 33.8590959320154 31 0.9 44 0.6 440.1652643 41635.338636 441.1686931 2956.830511 0 0 "Unambiguous" +40085.059641 439.176958 "C25H28O7" "O7" "CHO" 25 28 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.18423445216 439.17622679714 1.66112914277398 1.66 439 438.686569085273 0.313430914727462 12 0.28 1.12 5 33.8602694807154 32 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +246191.779335 439.197879 "C22H32O9" "O9" "CHO" 22 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.20515545216 439.19735616934 1.18769772129209 1.19 439 438.707466724697 0.292533275302958 7 0.409090909090909 1.45454545454545 -2 33.8618948170385 31 0.9 46 0.7 440.2020381 3829.400368 0 0 0 0 "Unambiguous" +6007.27807 439.2136559 "C26H32O6" "O6" "CHO" 26 32 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.22093235216 439.21261230244 2.37062230190387 2.37 439 438.72322600807 0.276773991930497 11 0.230769230769231 1.23076923076923 5 33.8630683657385 32 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +121566.57922 439.2345254 "C23H36O8" "O8" "CHO" 23 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.24180185216 439.23374167464 1.78021568308929 1.78 439 438.744072204999 0.255927795000616 6 0.347826086956522 1.56521739130435 -2 33.8646937020615 31 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +33860.856507 439.2698772 "C24H40O7" "O7" "CHO" 24 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.27715365216 439.27012717994 -0.567778586589827 0.57 439 438.779384530864 0.220615469136305 5 0.291666666666667 1.66666666666667 -2 33.8674925870846 31 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +2089.23847 439.3056886 "C25H44O6" "O6" "CHO" 25 44 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.31296505216 439.30651268524 -1.87158976781137 1.87 439 438.815155943535 0.184844056465465 4 0.24 1.76 -2 33.8702914721077 31 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +9660.590171 439.3430023 "C26H48O5" "O5" "CHO" 26 48 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 440.35027875216 439.34289819054 0.236424194699275 0.24 439 438.852427978724 0.147572021276233 3 0.192307692307692 1.84615384615385 -2 33.8730903571308 31 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +6891.885549 441.0308147 "C17H14O14" "O14" "CHO" 17 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.03809115216 441.03107870664 -0.597248620054574 0.6 441 440.53835575232 0.461644247680283 11 0.823529411764706 0.823529411764706 -3 34.0029503968308 31 0.9 36 0.4 0 0 0 0 0 0 "Unambiguous" +109595.856054 441.0474487 "C21H14O11" "O11" "CHO" 21 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.05472515216 441.04633483974 2.51973386247735 2.52 441 440.554971178647 0.445028821353276 15 0.523809523809524 0.666666666666667 4 34.0041239455308 32 0.9 44 0.3 0 0 0 0 0 0 "Unambiguous" +281612.70333 441.0679825 "C18H18O13" "O13" "CHO" 18 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.07525895216 441.06746421194 1.17239779778343 1.17 441 440.575482050422 0.424517949577762 10 0.722222222222222 1 -3 34.0057492818538 31 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +285718.32083 441.0834186 "C22H18O10" "O10" "CHO" 22 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.09069505216 441.08272034504 1.57943826420385 1.58 441 440.590900914335 0.409099085664934 14 0.454545454545455 0.818181818181818 4 34.0069228305538 32 0.9 46 0.4 442.0870501 15167.103465 0 0 0 0 "Unambiguous" +389003.145337 441.1043074 "C19H22O12" "O12" "CHO" 19 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.11158385216 441.10384971724 1.03522001391238 1.04 441 440.611766389714 0.388233610285681 9 0.631578947368421 1.15789473684211 -3 34.0085481668769 31 0.9 40 0.6 442.107417 20128.211072 0 0 0 0 "Unambiguous" +358626.199893 441.1195907 "C23H22O9" "O9" "CHO" 23 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.12686715216 441.11910585034 1.09663016672857 1.1 441 440.627032624245 0.372967375754968 13 0.391304347826087 0.956521739130435 4 34.0097217155769 32 0.9 48 0.5 442.1230951 24842.73896 0 0 0 0 "Unambiguous" +360248.894089 441.1407946 "C20H26O11" "O11" "CHO" 20 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.14807105216 441.14023522254 1.26513604062024 1.27 441 440.648212847781 0.351787152219174 8 0.55 1.3 -3 34.0113470519 31 0.9 42 0.6 442.144324 52792.403524 0 0 0 0 "Unambiguous" +133963.306717 441.1564613 "C24H26O8" "O8" "CHO" 24 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.16373775216 441.15549135564 2.19363162814414 2.19 441 440.663862054204 0.336137945796338 12 0.333333333333333 1.08333333333333 4 34.0125206006 32 0.9 50 0.5 442.1595957 14035.516679 0 0 0 0 "Unambiguous" +327961.367386 441.1772785 "C21H30O10" "O10" "CHO" 21 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.18455495216 441.17662072784 1.4875511878507 1.49 441 440.684656009532 0.315343990467795 7 0.476190476190476 1.42857142857143 -3 34.0141459369231 31 0.9 44 0.7 442.1808407 17762.007749 0 0 0 0 "Unambiguous" +53835.229899 441.1928091 "C25H30O7" "O7" "CHO" 25 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.20008555216 441.19187686094 2.10818380736786 2.11 441 440.700169267925 0.299830732074554 11 0.28 1.2 4 34.0153194856231 32 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +199852.80911 441.2136593 "C22H34O9" "O9" "CHO" 22 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.22093575216 441.21300623314 1.47678865297068 1.48 441 440.720996186406 0.279003813594102 6 0.409090909090909 1.54545454545455 -3 34.0169448219462 31 0.9 46 0.7 442.2175841 6336.39814 0 0 0 0 "Unambiguous" +7887.46988 441.2292679 "C26H34O6" "O6" "CHO" 26 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.23654435216 441.22826236624 2.27374642111704 2.27 441 440.736587357704 0.263412642296259 10 0.230769230769231 1.30769230769231 4 34.0181183706462 32 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +106838.878513 441.2500029 "C23H38O8" "O8" "CHO" 23 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.25727935216 441.24939173844 1.38191407705359 1.38 441 440.757299204817 0.242700795182543 5 0.347826086956522 1.65217391304348 -3 34.0197437069692 31 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +96737.458601 441.2865081 "C24H42O7" "O7" "CHO" 24 42 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.29378455216 441.28577724374 1.65242263297943 1.65 441 440.793763642785 0.206236357215005 4 0.291666666666667 1.75 -3 34.0225425919923 31 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +38533.252747 441.3233292 "C25H46O6" "O6" "CHO" 25 46 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.33060565216 441.32216274904 2.63705686446856 2.64 441 440.830543628016 0.169456371984211 3 0.24 1.84 -3 34.0253414770154 31 0.9 52 0.9 0 0 0 0 0 0 "Unambiguous" +6038.888218 441.3593152 "C26H50O5" "O5" "CHO" 26 50 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 442.36659165216 441.35854825434 1.7337332306465 1.73 441 440.866489445727 0.133510554273244 2 0.192307692307692 1.92307692307692 -3 34.0281403620385 31 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +13046.667596 443.0269017 "C20H12O12" "O12" "CHO" 20 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.03417815216 443.02559939824 2.93288630489152 2.93 443 442.532213903743 0.467786096256702 15 0.6 0.6 3 34.1563750654154 32 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +43578.455599 443.0470181 "C17H16O14" "O14" "CHO" 17 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.05429455216 443.04672877044 0.651563476737929 0.65 443 442.552307841591 0.447692158408643 10 0.823529411764706 0.941176470588235 -4 34.1580004017385 31 0.9 36 0.4 0 0 0 0 0 0 "Unambiguous" +247047.690903 443.0627235 "C21H16O11" "O11" "CHO" 21 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.06999995216 443.06198490354 1.66324331766559 1.66 443 442.567995704801 0.432004295198624 14 0.523809523809524 0.761904761904762 3 34.1591739504385 32 0.9 44 0.4 444.0662775 6723.89616 0 0 0 0 "Unambiguous" +284528.311484 443.0835523 "C18H20O13" "O13" "CHO" 18 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.09082875216 443.08311427574 0.98633935142768 0.99 443 442.588801247177 0.41119875282277 9 0.722222222222222 1.11111111111111 -4 34.1607992867615 31 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +424081.759456 443.0991173 "C22H20O10" "O10" "CHO" 22 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.10639375216 443.09837040884 1.68178429882441 1.68 443 442.604348867159 0.39565113284084 13 0.454545454545455 0.909090909090909 3 34.1619728354615 32 0.9 46 0.4 444.1025171 50526.607788 0 0 0 0 "Unambiguous" +365086.330198 443.1199825 "C19H24O12" "O12" "CHO" 19 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.12725895216 443.11949978104 1.08689334036386 1.09 443 442.62519076889 0.374809231109566 8 0.631578947368421 1.26315789473684 -4 34.1635981717846 31 0.9 40 0.6 444.123228 24894.140101 445.1259428 5567.821289 0 0 "Unambiguous" +285804.923725 443.13565 "C23H24O9" "O9" "CHO" 23 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.14292645216 443.13475591414 2.01305887533386 2.01 443 442.64084077442 0.359159225580015 12 0.391304347826087 1.04347826086957 3 34.1647717204846 32 0.9 48 0.5 444.1391902 30939.478708 0 0 0 0 "Unambiguous" +321033.733033 443.1563923 "C20H28O11" "O11" "CHO" 20 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.16366875216 443.15588528634 1.14150187348034 1.14 443 442.661559913383 0.338440086617481 7 0.55 1.4 -4 34.1663970568077 31 0.9 42 0.7 444.1600206 33467.542287 0 0 0 0 "Unambiguous" +167500.582659 443.1718581 "C24H28O8" "O8" "CHO" 24 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.17913455216 443.17114141944 1.61349443108401 1.61 443 442.677008444132 0.322991555867929 11 0.333333333333333 1.16666666666667 3 34.1675706055077 32 0.9 50 0.6 444.1758162 6533.907694 0 0 0 0 "Unambiguous" +232935.829766 443.1929167 "C21H32O10" "O10" "CHO" 21 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.20019315216 443.19227079164 1.45409292920362 1.45 443 442.698043529911 0.301956470088783 6 0.476190476190476 1.52380952380952 -4 34.1691959418308 31 0.9 44 0.7 444.1961555 16062.590782 0 0 0 0 "Unambiguous" +72864.223661 443.2078876 "C25H32O7" "O7" "CHO" 25 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.21516405216 443.20752692474 0.811938198453542 0.81 443 442.712997713271 0.287002286729489 10 0.28 1.28 3 34.1703694905308 32 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +141703.527267 443.2292518 "C22H36O9" "O9" "CHO" 22 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.23652825216 443.22865629694 1.34050899049027 1.34 443 442.734338057814 0.265661942186114 5 0.409090909090909 1.63636363636364 -4 34.1719948268538 31 0.9 46 0.8 444.2322433 3905.466491 0 0 0 0 "Unambiguous" +25395.045678 443.2443216 "C26H36O6" "O6" "CHO" 26 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.25159805216 443.24391243004 0.921032049829383 0.92 443 442.749391030741 0.250608969259417 9 0.230769230769231 1.38461538461538 3 34.1731683755538 32 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +87613.407851 443.2659289 "C23H40O8" "O8" "CHO" 23 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.27320535216 443.26504180224 1.9967392795344 2 443 442.770974203836 0.229025796163569 4 0.347826086956522 1.73913043478261 -4 34.1747937118769 31 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +52396.180319 443.3022034 "C24H44O7" "O7" "CHO" 24 44 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 444.30947985216 443.30142730754 1.74673846765298 1.75 443 442.807208199406 0.192791800594364 3 0.291666666666667 1.83333333333333 -4 34.1775925969 31 0.9 50 0.9 444.3057794 2114.341067 0 0 0 0 "Unambiguous" +100887.488643 445.0418905 "C20H14O12" "O12" "CHO" 20 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.04916695216 445.04124946204 1.43714641233063 1.44 445 444.544952749248 0.455047250751818 14 0.6 0.7 2 34.3114250703231 32 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +2674.188908 445.0554223 "C24H14O9" "O9" "CHO" 24 14 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.06269875216 445.05650559514 -2.42857146100005 2.43 445 444.558469439519 0.441530560480658 18 0.375 0.583333333333333 9 34.3125986190231 33 1 50 0.3 0 0 0 0 0 0 "Unambiguous" +104025.275246 445.0632091 "C17H18O14" "O14" "CHO" 17 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.07048555216 445.06237883424 1.86128826469944 1.86 445 444.566247544709 0.433752455291085 9 0.823529411764706 1.05882352941176 -5 34.3130504066462 31 0.9 36 0.5 0 0 0 0 0 0 "Unambiguous" +380389.437991 445.0783528 "C21H18O11" "O11" "CHO" 21 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.08562925216 445.07763496734 1.6091813162264 1.61 445 444.581374335118 0.418625664881802 13 0.523809523809524 0.857142857142857 2 34.3142239553462 32 0.9 44 0.4 446.0819279 54291.456522 0 0 0 0 "Unambiguous" +281447.698423 445.0992073 "C18H22O13" "O13" "CHO" 18 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.10648375216 445.09876433954 0.99294781873134 0.99 445 444.602205548797 0.397794451202799 8 0.722222222222222 1.22222222222222 -5 34.3158492916692 31 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +384078.917859 445.1148977 "C22H22O10" "O10" "CHO" 22 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.12217415216 445.11402047264 1.96633884362024 1.97 445 444.617878428756 0.382121571243601 12 0.454545454545455 1 2 34.3170228403692 32 0.9 46 0.5 446.1180972 57202.14742 0 0 0 0 "Unambiguous" +269579.79503 445.1356064 "C19H26O12" "O12" "CHO" 19 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.14288285216 445.13514984484 1.02333843603332 1.02 445 444.638564005237 0.361435994763042 7 0.631578947368421 1.36842105263158 -5 34.3186481766923 31 0.9 40 0.7 446.1392713 9457.778152 0 0 0 0 "Unambiguous" +299214.371725 445.1512229 "C23H26O9" "O9" "CHO" 23 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.15849935216 445.15040597794 1.83101310670697 1.83 445 444.654163067714 0.345836932286431 11 0.391304347826087 1.1304347826087 2 34.3198217253923 32 0.9 48 0.5 446.1546521 22640.441847 0 0 0 0 "Unambiguous" +233896.584838 445.1719489 "C20H30O11" "O11" "CHO" 20 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.17922535216 445.17153535014 0.926869375612707 0.93 445 444.674865924877 0.325134075123174 6 0.55 1.5 -5 34.3214470617154 31 0.9 42 0.7 446.1753687 15058.723549 447.178197 2362.835606 0 0 "Unambiguous" +212895.817981 445.187501 "C24H30O8" "O8" "CHO" 24 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.19477745216 445.18679148324 1.59015030166896 1.59 445 444.690400659263 0.309599340737009 10 0.333333333333333 1.25 2 34.3226206104154 32 0.9 50 0.6 446.1910472 20720.045569 0 0 0 0 "Unambiguous" +172240.891543 445.2082316 "C21H34O10" "O10" "CHO" 21 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.21550805216 445.20792085544 0.696400179741098 0.7 445 444.71110811129 0.288891888710168 5 0.476190476190476 1.61904761904762 -5 34.3242459467385 31 0.9 44 0.8 446.2116441 6023.040086 0 0 0 0 "Unambiguous" +84275.297273 445.2239628 "C25H34O7" "O7" "CHO" 25 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.23123925216 445.22317698854 1.76099607304092 1.76 445 444.726821745691 0.273178254308618 9 0.28 1.36 2 34.3254194954385 32 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +61891.203571 445.2452342 "C22H38O9" "O9" "CHO" 22 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 446.25251065216 445.24430636074 2.07917992144767 2.08 445 444.748069393856 0.251930606143844 4 0.409090909090909 1.72727272727273 -5 34.3270448317615 31 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +207825.645858 447.0575958 "C20H16O12" "O12" "CHO" 20 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.06487225216 447.05689952584 1.55395837330593 1.55 447 446.558407294703 0.441592705297296 13 0.6 0.8 1 34.4664750752308 32 0.9 42 0.4 448.0613723 10405.367593 0 0 0 0 "Unambiguous" +3677.64626 447.0712041 "C24H16O9" "O9" "CHO" 24 16 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.07848055216 447.07215565894 -2.12364347166159 2.12 447 446.572000399553 0.427999600446697 17 0.375 0.666666666666667 8 34.4676486239308 33 1 50 0.3 0 0 0 0 0 0 "Unambiguous" +123721.725344 447.0786915 "C17H20O14" "O14" "CHO" 17 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.08596795216 447.07802889804 1.47873847298642 1.48 447 446.579479439056 0.420520560944396 8 0.823529411764706 1.17647058823529 -6 34.4681004115538 31 0.9 36 0.6 448.0807572 5803.238024 0 0 0 0 "Unambiguous" +480909.871216 447.0942291 "C21H20O11" "O11" "CHO" 21 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.10150555216 447.09328503114 2.10681921018023 2.11 447 446.594999689633 0.40500031036737 12 0.523809523809524 0.952380952380952 1 34.4692739602538 32 0.9 44 0.5 448.0976527 67850.476956 0 0 0 0 "Unambiguous" +212869.148434 447.1149369 "C18H24O13" "O13" "CHO" 18 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.12221335216 447.11441440334 1.16596911381405 1.17 447 446.615684367118 0.384315632881851 7 0.722222222222222 1.33333333333333 -6 34.4708992965769 31 0.9 38 0.6 448.1180049 10620.925015 449.1208486 3155.585829 0 0 "Unambiguous" +395134.876725 447.1303367 "C22H24O10" "O10" "CHO" 22 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.13761315216 447.12967053644 1.48651561578175 1.49 447 446.631066971564 0.368933028436118 11 0.454545454545455 1.09090909090909 1 34.4720728452769 32 0.9 46 0.5 448.1334862 66038.463896 0 0 0 0 "Unambiguous" +153819.689611 447.1511082 "C19H28O12" "O12" "CHO" 19 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.15838465216 447.15079990864 0.687907156392798 0.69 447 446.651815277921 0.348184722078543 6 0.631578947368421 1.47368421052632 -6 34.4736981816 31 0.9 40 0.7 448.1547432 3320.843615 0 0 0 0 "Unambiguous" +317240.475872 447.1668498 "C23H28O9" "O9" "CHO" 23 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.17412625216 447.16605604174 1.77109345129441 1.77 447 446.66753930071 0.332460699289697 10 0.391304347826087 1.21739130434783 1 34.4748717303 32 0.9 48 0.6 448.1701967 44496.058324 0 0 0 0 "Unambiguous" +54384.426734 447.1877724 "C20H32O11" "O11" "CHO" 20 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.19504885216 447.18718541394 1.30966654250947 1.31 447 446.688438538348 0.31156146165182 5 0.55 1.6 -6 34.4764970666231 31 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +190586.618943 447.2028262 "C24H32O8" "O8" "CHO" 24 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.21010265216 447.20244154704 0.858197880262285 0.86 447 446.703475529141 0.296524470859367 9 0.333333333333333 1.33333333333333 1 34.4776706153231 32 0.9 50 0.6 448.2065799 14023.91647 0 0 0 0 "Unambiguous" +18782.776415 447.2242477 "C21H36O10" "O10" "CHO" 21 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.23152415216 447.22357091924 1.50989103527591 1.51 447 446.724873109702 0.275126890297656 4 0.476190476190476 1.71428571428571 -6 34.4792959516462 31 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +75803.280661 447.2397253 "C25H36O7" "O7" "CHO" 25 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.24700175216 447.23882705234 2.00391225486604 2 447 446.740333427276 0.259666572724086 8 0.28 1.44 1 34.4804695003462 32 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +7143.906052 447.27567 "C26H40O6" "O6" "CHO" 26 40 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 448.28294645216 447.27521255764 1.02043221492049 1.02 447 446.776237991103 0.223762008897211 7 0.230769230769231 1.53846153846154 1 34.4832683853692 32 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +43101.930733 449.0372895 "C19H14O13" "O13" "CHO" 19 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.04456595216 449.03616408434 2.50067603331209 2.5 449 448.535890451031 0.464109548968509 13 0.684210526315789 0.736842105263158 0 34.6187261951154 32 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +6199.950436 449.0518433 "C23H14O10" "O10" "CHO" 23 14 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.05911975216 449.05142021744 0.940059964237294 0.94 449 448.550428000128 0.449571999871637 17 0.434782608695652 0.608695652173913 7 34.6198997438154 33 1 48 0.3 0 0 0 0 0 0 "Unambiguous" +6363.761527 449.0581906 "C16H18O15" "O15" "CHO" 16 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.06546705216 449.05729345654 1.99336213436809 1.99 449 448.556768212677 0.443231787323498 8 0.9375 1.125 -7 34.6203515314385 31 0.9 34 0.5 0 0 0 0 0 0 "Unambiguous" +378583.241893 449.0732439 "C20H18O12" "O12" "CHO" 20 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.08052035216 449.07254958964 1.54263588108961 1.54 449 448.571804704027 0.428195295972728 12 0.6 0.9 0 34.6215250801385 32 0.9 42 0.4 450.0767324 28094.57249 451.0796482 6538.545817 0 0 "Unambiguous" +36798.864167 449.0882419 "C24H18O9" "O9" "CHO" 24 18 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.09551835216 449.08780572274 0.969077100875705 0.97 449 448.586785957126 0.413214042873506 16 0.375 0.75 7 34.6226986288385 33 1 50 0.4 0 0 0 0 0 0 "Unambiguous" +98790.270453 449.0940652 "C17H22O14" "O14" "CHO" 17 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.10134165216 449.09367896184 0.858113771828428 0.86 449 448.592602754778 0.407397245222342 7 0.823529411764706 1.29411764705882 -7 34.6231504164615 31 0.9 36 0.6 0 0 0 0 0 0 "Unambiguous" +552332.956614 449.1095802 "C21H22O11" "O11" "CHO" 21 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.11685665216 449.10893509494 1.43319462597859 1.43 449 448.60810043059 0.391899569409929 11 0.523809523809524 1.04761904761905 0 34.6243239651615 32 0.9 44 0.5 450.1130017 62174.234552 0 0 0 0 "Unambiguous" +11456.179115 449.1245987 "C25H22O8" "O8" "CHO" 25 22 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.13187515216 449.12419122804 0.905227962029418 0.91 449 448.623102160799 0.376897839201206 15 0.32 0.88 7 34.6254975138615 33 1 52 0.4 0 0 0 0 0 0 "Unambiguous" +84136.885235 449.1305003 "C18H26O13" "O13" "CHO" 18 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.13777675216 449.13006446714 0.968221025969663 0.97 449 448.62899717102 0.371002828980465 6 0.722222222222222 1.44444444444444 -7 34.6259493014846 31 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +422673.166539 449.1459218 "C22H26O10" "O10" "CHO" 22 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.15319825216 449.14532060024 1.33554479307694 1.34 449 448.644401451235 0.355598548765158 10 0.454545454545455 1.18181818181818 0 34.6271228501846 32 0.9 46 0.6 450.1492561 56485.991632 0 0 0 0 "Unambiguous" +11996.756017 449.1614066 "C26H26O7" "O7" "CHO" 26 26 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.16868305216 449.16057673334 1.84345711120126 1.84 449 448.659868960769 0.340131039231153 14 0.269230769230769 1 7 34.6282963988846 33 1 54 0.5 0 0 0 0 0 0 "Unambiguous" +36064.443085 449.1669274 "C19H30O12" "O12" "CHO" 19 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.17420385216 449.16644997244 1.06053957769498 1.06 449 448.665383596194 0.33461640380574 5 0.631578947368421 1.57894736842105 -7 34.6287481865077 31 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +305795.969182 449.1824354 "C23H30O9" "O9" "CHO" 23 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.18971185216 449.18170610554 1.61997140488209 1.62 449 448.680874279823 0.319125720177112 9 0.391304347826087 1.30434782608696 0 34.6299217352077 32 0.9 48 0.6 450.1863839 25413.227584 0 0 0 0 "Unambiguous" +163312.179492 449.2189307 "C24H34O8" "O8" "CHO" 24 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.22620715216 449.21809161084 1.86370572533967 1.86 449 448.717328828845 0.28267117115513 8 0.333333333333333 1.41666666666667 0 34.6327206202308 32 0.9 50 0.7 450.2223545 7756.882744 0 0 0 0 "Unambiguous" +17675.098864 449.2556709 "C25H38O7" "O7" "CHO" 25 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 450.26294735216 449.25447711614 2.65130379264734 2.65 449 448.754028004409 0.245971995590708 7 0.28 1.52 0 34.6355195052538 32 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +168123.436821 451.0526564 "C19H16O13" "O13" "CHO" 19 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.05993285216 451.05181414814 1.86314202779415 1.86 451 450.549006974347 0.450993025653474 12 0.684210526315789 0.842105263157895 -1 34.7737762000231 32 0.9 40 0.4 452.0554004 2724.966018 0 0 0 0 "Unambiguous" +70488.578734 451.0677728 "C23H16O10" "O10" "CHO" 23 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.07504925216 451.06707028124 1.5539870230116 1.55 451 450.564106495239 0.43589350476077 16 0.434782608695652 0.695652173913043 6 34.7749497487231 33 0.9 48 0.3 0 0 0 0 0 0 "Unambiguous" +559586.820641 451.0888347 "C20H20O12" "O12" "CHO" 20 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.09611115216 451.08819965344 1.40467158268544 1.4 451 450.585144877334 0.414855122666438 11 0.6 1 -1 34.7765750850462 32 0.9 42 0.5 452.0922601 45318.385127 453.0949379 8829.889701 0 0 "Unambiguous" +105091.657455 451.1045277 "C24H20O9" "O9" "CHO" 24 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.11180415216 451.10345578654 2.37090350255199 2.37 451 450.60082035439 0.399179645610445 15 0.375 0.833333333333333 6 34.7777486337462 33 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +36154.220814 451.109764 "C17H24O14" "O14" "CHO" 17 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.11704045216 451.10932902564 0.96208353378332 0.96 451 450.60605080749 0.393949192509865 6 0.823529411764706 1.41176470588235 -8 34.7782004213692 31 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +488111.620907 451.1252645 "C21H24O11" "O11" "CHO" 21 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.13254095216 451.12458515874 1.50252680020313 1.5 451 450.621533999493 0.378466000506592 10 0.523809523809524 1.14285714285714 -1 34.7793739700692 32 0.9 44 0.5 452.1286878 87292.064994 0 0 0 0 "Unambiguous" +9034.854066 451.1457158 "C18H28O13" "O13" "CHO" 18 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.15299225216 451.14571453094 0.00280670490577221 0 451 450.641962463389 0.35803753661088 5 0.722222222222222 1.55555555555556 -8 34.7809993063923 31 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +405770.162703 451.1616608 "C22H28O10" "O10" "CHO" 22 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.16893725216 451.16097066404 1.52627901473273 1.53 451 450.65788965906 0.342110340940337 9 0.454545454545455 1.27272727272727 -1 34.7821728550923 32 0.9 46 0.6 452.1649088 57557.919158 0 0 0 0 "Unambiguous" +247338.883421 451.1983171 "C23H32O9" "O9" "CHO" 23 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.20559355216 451.19735616934 2.12498623132884 2.12 451 450.694505028308 0.305494971692383 8 0.391304347826087 1.39130434782609 -1 34.7849717401154 32 0.9 48 0.7 452.2015394 12661.820738 0 0 0 0 "Unambiguous" +108621.652719 451.2344285 "C24H36O8" "O8" "CHO" 24 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.24170495216 451.23374167464 1.51871300782516 1.52 451 450.730576105996 0.269423894004262 7 0.333333333333333 1.5 -1 34.7877706251385 32 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +18190.283012 451.2708957 "C25H40O7" "O7" "CHO" 25 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 452.27817215216 451.27012717994 1.69921987683173 1.7 451 450.767002586394 0.232997413605517 6 0.28 1.6 -1 34.7905695101615 32 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +7263.466631 453.0316832 "C18H14O14" "O14" "CHO" 18 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.03895965216 453.03107870664 1.33136892146484 1.33 453 452.525823975342 0.47417602465822 12 0.777777777777778 0.777777777777778 -2 34.9260273199077 32 0.9 38 0.4 0 0 0 0 0 0 "Unambiguous" +28433.68576 453.0473889 "C22H14O11" "O11" "CHO" 22 14 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.05466535216 453.04633483974 2.32143911391281 2.32 453 452.541512138217 0.458487861783112 16 0.5 0.636363636363636 5 34.9272008686077 33 0.9 46 0.3 0 0 0 0 0 0 "Unambiguous" +280172.654875 453.0680112 "C19H18O13" "O13" "CHO" 19 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.07528765216 453.06746421194 1.20461975116797 1.2 453 452.562111411173 0.437888588827491 11 0.684210526315789 0.947368421052632 -2 34.9288262049308 32 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +182371.56313 453.0835657 "C23H18O10" "O10" "CHO" 23 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.09084215216 453.08272034504 1.86164282899807 1.86 453 452.577648542879 0.422351457121181 15 0.434782608695652 0.782608695652174 5 34.9299997536308 33 0.9 48 0.4 454.0862161 14014.240342 0 0 0 0 "Unambiguous" +501968.021281 453.1043811 "C20H22O12" "O12" "CHO" 20 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.11165755216 453.10384971724 1.17015881706395 1.17 453 452.598440700217 0.401559299782775 10 0.6 1.1 -2 34.9316250899538 32 0.9 42 0.5 454.1079331 72488.796861 455.1112959 2286.812591 0 0 "Unambiguous" +184809.783012 453.1200405 "C24H22O9" "O9" "CHO" 24 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.12731695216 453.11910585034 2.05812252459439 2.06 453 452.614082614791 0.3859173852087 14 0.375 0.916666666666667 5 34.9327986386538 33 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +4756.735261 453.1249121 "C17H26O14" "O14" "CHO" 17 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.13218855216 453.12497908944 -0.147510882647734 0.15 453 452.618948775119 0.381051224880764 5 0.823529411764706 1.52941176470588 -9 34.9332504262769 31 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +409985.993202 453.1408658 "C21H26O11" "O11" "CHO" 21 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.14814225216 453.14023522254 1.38848406784428 1.39 453 452.634884661075 0.365115338924738 9 0.523809523809524 1.23809523809524 -2 34.9344239749769 32 0.9 44 0.6 454.1442061 52946.906638 455.1466303 3805.362773 0 0 "Unambiguous" +95053.781036 453.1567164 "C25H26O8" "O8" "CHO" 25 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.16399285216 453.15549135564 2.69736125988811 2.7 453 452.650717562154 0.349282437846284 13 0.32 1.04 5 34.9355975236769 33 0.9 52 0.5 454.1592549 4306.954504 0 0 0 0 "Unambiguous" +333550.246724 453.177251 "C22H30O10" "O10" "CHO" 22 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.18452745216 453.17662072784 1.38770064122735 1.39 453 452.671229233036 0.328770766964055 8 0.454545454545455 1.36363636363636 -2 34.93722286 32 0.9 46 0.7 454.1807417 18593.026572 0 0 0 0 "Unambiguous" +30095.043194 453.1925524 "C26H30O7" "O7" "CHO" 26 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.19982885216 453.19187686094 1.48731685284678 1.49 453 452.686513547356 0.313486452644042 12 0.269230769230769 1.15384615384615 5 34.9383964087 33 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +216821.897353 453.2138064 "C23H34O9" "O9" "CHO" 23 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.22108285216 453.21300623314 1.7616242183054 1.76 453 452.70774381495 0.292256185050292 7 0.391304347826087 1.47826086956522 -2 34.9400217450231 32 0.9 48 0.7 454.2165013 12222.035597 0 0 0 0 "Unambiguous" +6591.757849 453.228658 "C27H34O6" "O6" "CHO" 27 34 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.23593445216 453.22826236624 0.870987365753054 0.87 453 452.72257883152 0.27742116847952 11 0.222222222222222 1.25925925925926 5 34.9411952937231 33 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +92208.435622 453.2506757 "C24H38O8" "O8" "CHO" 24 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.25795215216 453.24939173844 2.82650321011279 2.83 453 452.74457194636 0.25542805364006 6 0.333333333333333 1.58333333333333 -2 34.9428206300462 32 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +14077.906206 453.285919 "C25H42O7" "O7" "CHO" 25 42 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.29319545216 453.28577724374 0.312036943158913 0.31 453 452.779775893376 0.220224106623732 5 0.28 1.68 -2 34.9456195150692 32 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +7990.862459 453.3227467 "C26H46O6" "O6" "CHO" 26 46 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.33002315216 453.32216274904 1.28530127932297 1.29 453 452.816562471237 0.183437528762511 4 0.230769230769231 1.76923076923077 -2 34.9484184000923 32 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +2703.477429 453.3951202 "C28H54O4" "O4" "CHO" 28 54 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 454.40239665216 453.39493375964 0.410297923946066 0.41 453 452.888855158341 0.111144841659154 2 0.142857142857143 1.92857142857143 -2 34.9540161701385 32 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +4214.680009 455.0265718 "C21H12O12" "O12" "CHO" 21 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.03384825216 455.02559939824 2.1323017223239 2.13 455 454.51848506491 0.481514935090445 16 0.571428571428571 0.571428571428571 4 35.0794519884923 33 0.9 44 0.3 0 0 0 0 0 0 "Unambiguous" +92193.19372 455.047466 "C18H16O14" "O14" "CHO" 18 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.05474245216 455.04672877044 1.61653742714767 1.62 455 454.539355934259 0.460644065740837 11 0.777777777777778 0.888888888888889 -3 35.0810773248154 32 0.9 38 0.4 0 0 0 0 0 0 "Unambiguous" +152411.603083 455.0627438 "C22H16O11" "O11" "CHO" 22 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.07002025216 455.06198490354 1.66399111170157 1.66 455 454.554616674931 0.445383325068747 15 0.5 0.727272727272727 4 35.0822508735154 33 0.9 46 0.3 456.0660298 6508.711193 0 0 0 0 "Unambiguous" +381726.436519 455.0839782 "C19H20O13" "O13" "CHO" 19 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.09125465216 455.08311427574 1.89419168023131 1.89 455 454.57582736441 0.424172635589514 10 0.684210526315789 1.05263157894737 -3 35.0838762098385 32 0.9 40 0.5 456.08687 22928.890387 0 0 0 0 "Unambiguous" +283567.77229 455.0990933 "C23H20O10" "O10" "CHO" 23 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.10636975216 455.09837040884 1.58491792258124 1.58 455 454.590925586755 0.409074413245207 14 0.434782608695652 0.869565217391304 4 35.0850497585385 33 0.9 48 0.4 456.1027364 49146.173638 0 0 0 0 "Unambiguous" +428223.860486 455.1200502 "C20H24O12" "O12" "CHO" 20 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.12732665216 455.11949978104 1.20672217570762 1.21 455 454.611859086093 0.388140913907023 9 0.6 1.2 -3 35.0866750948615 32 0.9 42 0.6 456.1231848 13857.097708 457.126304 4210.897722 0 0 "Unambiguous" +340979.159776 455.1563639 "C21H28O11" "O11" "CHO" 21 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.16364035216 455.15588528634 1.04921483795541 1.05 455 454.648132237891 0.351867762108839 8 0.523809523809524 1.33333333333333 -3 35.0894739798846 32 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +137699.776986 455.1722228 "C25H28O8" "O8" "CHO" 25 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.17949925216 455.17114141944 2.37051546979585 2.37 455 454.663973429702 0.336026570298259 12 0.32 1.12 4 35.0906475285846 33 0.9 52 0.5 456.175265 14552.450617 0 0 0 0 "Unambiguous" +286749.761566 455.1928712 "C22H32O10" "O10" "CHO" 22 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.20014765216 455.19227079164 1.31610733381967 1.32 455 454.684598773514 0.315401226486131 7 0.454545454545455 1.45454545454545 -3 35.0922728649077 32 0.9 46 0.7 456.1962581 26025.90892 0 0 0 0 "Unambiguous" +65678.958426 455.2085194 "C26H32O7" "O7" "CHO" 26 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.21579585216 455.20752692474 2.17545133039566 2.18 455 454.700229500594 0.299770499406065 11 0.269230769230769 1.23076923076923 4 35.0934464136077 33 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +205556.901532 455.2295456 "C23H36O9" "O9" "CHO" 23 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.23682205216 455.22865629694 1.94921369133395 1.95 455 454.721232222551 0.27876777744882 6 0.391304347826087 1.56521739130435 -3 35.0950717499308 32 0.9 48 0.8 456.2326781 7588.097332 0 0 0 0 "Unambiguous" +6567.938757 455.2450177 "C27H36O6" "O6" "CHO" 27 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.25229415216 455.24391243004 2.42249732042499 2.42 455 454.736687046266 0.263312953733873 10 0.222222222222222 1.33333333333333 4 35.0962452986308 33 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +106729.399121 455.2655823 "C24H40O8" "O8" "CHO" 24 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.27285875216 455.26504180224 1.18459327484257 1.18 455 454.75722868365 0.242771316349945 5 0.333333333333333 1.66666666666667 -3 35.0978706349538 32 0.9 50 0.8 456.268949 5514.531016 0 0 0 0 "Unambiguous" +40885.835677 455.3019189 "C25H44O7" "O7" "CHO" 25 44 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.30919535216 455.30142730754 1.07732315059002 1.08 455 454.793524709878 0.206475290122171 4 0.28 1.76 -3 35.1006695199769 32 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +55390.488059 455.3383825 "C26H48O6" "O6" "CHO" 26 48 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.34565895216 455.33781281284 1.24836765472355 1.25 455 454.829947594296 0.170052405703643 3 0.230769230769231 1.84615384615385 -3 35.103468405 32 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +2843.852056 455.3747642 "C27H52O5" "O5" "CHO" 27 52 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 456.38204065216 455.37419831814 1.23993016734901 1.24 455 454.866288670165 0.133711329834853 2 0.185185185185185 1.92592592592593 -3 35.1062672900231 32 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +51493.339389 457.0422753 "C21H14O12" "O12" "CHO" 21 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.04955175216 457.04124946204 2.23957856968443 2.24 457 456.531937812374 0.468062187626003 15 0.571428571428571 0.666666666666667 3 35.2345019934 33 0.9 44 0.3 0 0 0 0 0 0 "Unambiguous" +134962.680008 457.0630368 "C18H18O14" "O14" "CHO" 18 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.07031325216 457.06237883424 1.43638594551435 1.44 457 456.552676129898 0.447323870102366 10 0.777777777777778 1 -4 35.2361273297231 32 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +314711.361196 457.0786165 "C22H18O11" "O11" "CHO" 22 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.08589295216 457.07763496734 2.14268257358703 2.14 457 456.568238433465 0.43176156653459 14 0.5 0.818181818181818 3 35.2373008784231 33 0.9 46 0.4 458.0820214 40585.960781 0 0 0 0 "Unambiguous" +342602.052329 457.0990897 "C19H22O13" "O13" "CHO" 19 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.10636615216 457.09876433954 0.710229073405855 0.71 457 456.588688772907 0.411311227092597 9 0.684210526315789 1.15789473684211 -4 35.2389262147462 32 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +380017.701237 457.1148067 "C23H22O10" "O10" "CHO" 23 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.12208315216 457.11402047264 1.71619616026444 1.72 457 456.604388223165 0.39561177683521 13 0.434782608695652 0.956521739130435 3 35.2400997634461 33 0.9 48 0.5 458.1183085 70463.825129 0 0 0 0 "Unambiguous" +303459.381369 457.1356384 "C20H26O12" "O12" "CHO" 20 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.14291485216 457.13514984484 1.06638156811621 1.07 457 456.625196662302 0.374803337697529 8 0.6 1.3 -4 35.2417250997692 32 0.9 42 0.6 458.1391413 18450.126529 459.1428425 2653.762355 0 0 "Unambiguous" +262827.199164 457.1512243 "C24H26O9" "O9" "CHO" 24 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.15850075216 457.15040597794 1.78611126644959 1.79 457 456.640765158947 0.359234841052682 12 0.375 1.08333333333333 3 35.2428986484692 33 0.9 50 0.5 458.1544153 32149.230486 0 0 0 0 "Unambiguous" +297511.799338 457.1720502 "C21H30O11" "O11" "CHO" 21 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.17932665216 457.17153535014 1.12368636044412 1.12 457 456.661567804561 0.338432195438713 7 0.523809523809524 1.42857142857143 -4 35.2445239847923 32 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +148763.96732 457.1870303 "C25H30O8" "O8" "CHO" 25 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.19430675216 457.18679148324 0.521212848905829 0.52 457 456.676531177648 0.323468822352197 11 0.32 1.2 3 35.2456975334923 33 0.9 52 0.6 458.1913377 23272.52824 0 0 0 0 "Unambiguous" +221988.219113 457.2086346 "C22H34O10" "O10" "CHO" 22 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.21591105216 457.20792085544 1.55765992144966 1.56 457 456.698111354093 0.301888645906558 6 0.454545454545455 1.54545454545455 -4 35.2473228698154 32 0.9 46 0.7 458.2123897 30480.375761 0 0 0 0 "Unambiguous" +60260.194807 457.2235544 "C26H34O7" "O7" "CHO" 26 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.23083085216 457.22317698854 0.823627382993941 0.82 457 456.713014494511 0.286985505488531 10 0.269230769230769 1.30769230769231 3 35.2484964185154 33 0.9 54 0.6 458.2279177 4474.714347 0 0 0 0 "Unambiguous" +133324.630971 457.244871 "C23H38O9" "O9" "CHO" 23 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.25214745216 457.24430636074 1.23215845936555 1.23 457 456.734307292205 0.265692707794528 5 0.391304347826087 1.65217391304348 -4 35.2501217548385 32 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +11787.552685 457.2599649 "C27H38O6" "O6" "CHO" 27 38 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.26724135216 457.25956249384 0.878103699502413 0.88 457 456.749384338222 0.250615661778113 9 0.222222222222222 1.40740740740741 3 35.2512953035385 33 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +84629.387897 457.2815401 "C24H42O8" "O8" "CHO" 24 42 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.28881655216 457.28069186604 1.85087204691666 1.85 457 456.770935447161 0.229064552839191 4 0.333333333333333 1.75 -4 35.2529206398615 32 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +5776.517317 457.3179281 "C25H46O7" "O7" "CHO" 25 46 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 458.32520455216 457.31707737134 1.85616817841389 1.86 457 456.807282815995 0.192717184005005 3 0.28 1.84 -4 35.2557195248846 32 0.9 52 0.9 0 0 0 0 0 0 "Unambiguous" +213783.032294 459.0577328 "C21H16O12" "O12" "CHO" 21 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.06500925216 459.05689952584 1.81120959703099 1.81 459 458.545144834524 0.454855165475749 14 0.571428571428571 0.761904761904762 2 35.3895519983077 33 0.9 44 0.4 460.060747 13692.373427 0 0 0 0 "Unambiguous" +194704.372978 459.0786151 "C18H20O14" "O14" "CHO" 18 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.08589155216 459.07802889804 1.27411418339051 1.27 459 458.566003817161 0.433996182838541 9 0.777777777777778 1.11111111111111 -5 35.3911773346308 32 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +455176.564848 459.0940383 "C22H20O11" "O11" "CHO" 22 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.10131475216 459.09328503114 1.63718041194762 1.64 459 458.581409795479 0.418590204521365 13 0.5 0.909090909090909 2 35.3923508833308 33 0.9 46 0.4 460.0977562 73547.385171 0 0 0 0 "Unambiguous" +277251.205614 459.1151052 "C19H24O13" "O13" "CHO" 19 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.12238165216 459.11441440334 1.50133244451914 1.5 459 458.60245317199 0.39754682801015 8 0.684210526315789 1.26315789473684 -5 35.3939762196538 32 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +409312.480951 459.1305424 "C23H24O10" "O10" "CHO" 23 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.13781885216 459.12967053644 1.89478787503814 1.89 459 458.617873134674 0.382126865325517 12 0.434782608695652 1.04347826086957 2 35.3951497683538 33 0.9 48 0.5 460.1343492 80946.476906 0 0 0 0 "Unambiguous" +267987.105849 459.1512828 "C20H28O12" "O12" "CHO" 20 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.15855925216 459.15079990864 1.04940210340597 1.05 459 458.638590375758 0.361409624241503 7 0.6 1.4 -5 35.3967751046769 32 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +248268.620846 459.1667079 "C24H28O9" "O9" "CHO" 24 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.17398435216 459.16605604174 1.41654739771 1.42 459 458.653998251954 0.346001748045978 11 0.375 1.16666666666667 2 35.3979486533769 33 0.9 50 0.6 460.1705918 38192.957407 0 0 0 0 "Unambiguous" +207088.540304 459.1876524 "C21H32O11" "O11" "CHO" 21 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.19492885216 459.18718541394 1.014757075189 1.01 459 458.674919365138 0.325080634861763 6 0.523809523809524 1.52380952380952 -5 35.3995739897 32 0.9 44 0.7 460.1913838 5352.29911 0 0 0 0 "Unambiguous" +190452.18792 459.2031604 "C25H32O8" "O8" "CHO" 25 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.21043685216 459.20244154704 1.56200925151261 1.56 459 458.690410048767 0.309589951233079 10 0.32 1.28 2 35.4007475384 33 0.9 52 0.6 460.2067592 19063.565715 0 0 0 0 "Unambiguous" +160896.374816 459.2240892 "C22H36O10" "O10" "CHO" 22 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.23136565216 459.22357091924 1.12613089573601 1.13 459 458.711315479482 0.288684520518188 5 0.454545454545455 1.63636363636364 -5 35.4023728747231 32 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +44522.659759 459.2390856 "C26H36O7" "O7" "CHO" 26 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.24636205216 459.23882705234 0.561759269318577 0.56 459 458.726295134368 0.27370486563234 9 0.269230769230769 1.38461538461538 2 35.4035464234231 33 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +77603.088361 459.2607535 "C23H40O9" "O9" "CHO" 23 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.26802995216 459.25995642454 1.7317636858171 1.73 459 458.747938839797 0.252061160203084 4 0.391304347826087 1.73913043478261 -5 35.4051717597462 32 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +2169.603993 459.2963949 "C24H44O8" "O8" "CHO" 24 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 460.30367135216 459.29634192984 0.115076553299474 0.12 459 458.783540442291 0.216459557708731 3 0.333333333333333 1.83333333333333 -5 35.4079706447692 32 0.9 50 0.9 0 0 0 0 0 0 "Unambiguous" +32305.234657 461.0369941 "C20H14O13" "O13" "CHO" 20 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.04427055216 461.03616408434 1.79639855513541 1.8 461 460.522196073675 0.477803926325237 14 0.65 0.7 1 35.5418031181923 33 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +23831.12992 461.0577112 "C17H18O15" "O15" "CHO" 17 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.06498765216 461.05729345654 0.904079450318218 0.9 461 460.542890040776 0.457109959224169 9 0.882352941176471 1.05882352941176 -6 35.5434284545154 32 0.9 36 0.5 0 0 0 0 0 0 "Unambiguous" +295140.152636 461.0734209 "C21H18O12" "O12" "CHO" 21 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.08069735216 461.07254958964 1.88562379908656 1.89 461 460.558582199184 0.441417800815543 13 0.571428571428571 0.857142857142857 1 35.5446020032154 33 0.9 44 0.4 462.076877 16266.574314 0 0 0 0 "Unambiguous" +217945.425586 461.0944637 "C18H22O14" "O14" "CHO" 18 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.10174015216 461.09367896184 1.69819347520492 1.7 461 460.579601502606 0.42039849739399 8 0.777777777777778 1.22222222222222 -6 35.5462273395385 32 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +495989.307102 461.1096278 "C22H22O11" "O11" "CHO" 22 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.11690425216 461.10893509494 1.49898230005997 1.5 461 460.594748670236 0.40525132976353 12 0.5 1 1 35.5474008882385 33 0.9 46 0.5 462.1132942 95578.746332 0 0 0 0 "Unambiguous" +225884.16204 461.1306566 "C19H26O13" "O13" "CHO" 19 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.13793305216 461.13006446714 1.28129031983726 1.28 461 460.615753989291 0.384246010709489 7 0.684210526315789 1.36842105263158 -6 35.5490262245615 32 0.9 40 0.7 462.1334649 7405.390338 463.1362078 2827.65767 0 0 "Unambiguous" +395474.23227 461.1459538 "C23H26O10" "O10" "CHO" 23 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.15323025216 461.14532060024 1.37010783121254 1.37 461 460.6310341083 0.368965891699702 11 0.434782608695652 1.1304347826087 1 35.5501997732615 33 0.9 48 0.5 462.1498206 75669.438627 0 0 0 0 "Unambiguous" +153496.83459 461.1670972 "C20H30O12" "O12" "CHO" 20 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.17437365216 461.16644997244 1.4003968997862 1.4 461 460.652153899391 0.34784610060899 6 0.6 1.5 -6 35.5518251095846 32 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +321399.471586 461.1825737 "C24H30O9" "O9" "CHO" 24 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.18985015216 461.18170610554 1.87713871191727 1.88 461 460.667613118193 0.332386881807167 10 0.375 1.25 1 35.5529986582846 33 0.9 50 0.6 462.1859115 49899.184852 0 0 0 0 "Unambiguous" +61029.290307 461.2036892 "C21H34O11" "O11" "CHO" 21 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.21096565216 461.20283547774 1.8470402552766 1.85 461 460.688705040437 0.311294959563099 5 0.523809523809524 1.61904761904762 -6 35.5546239946077 32 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +180499.97226 461.2188815 "C25H34O8" "O8" "CHO" 25 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.22615795216 461.21809161084 1.70888026651035 1.71 461 460.703880376579 0.296119623420964 9 0.32 1.36 1 35.5557975433077 33 0.9 52 0.7 462.2216368 23952.808328 0 0 0 0 "Unambiguous" +3760.754137 461.2400158 "C22H38O10" "O10" "CHO" 22 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.24729225216 461.23922098304 1.71946266271174 1.72 461 460.724991077831 0.275008922169206 4 0.454545454545455 1.72727272727273 -6 35.5574228796308 32 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +16808.310614 461.2539559 "C26H38O7" "O7" "CHO" 26 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.26123235216 461.25447711614 -1.1275359115335 1.13 461 460.738915612191 0.261084387809376 8 0.269230769230769 1.46153846153846 1 35.5585964283308 33 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +19255.376022 461.2558568 "C26H38O7" "O7" "CHO" 26 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 462.26313325216 461.25447711614 2.98462879857271 2.98 461 460.740814389629 0.259185610371276 8 0.269230769230769 1.46153846153846 1 35.5585964283308 33 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +146443.014465 463.0527021 "C20H16O13" "O13" "CHO" 20 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.05997855216 463.05181414814 1.91344201397404 1.91 463 462.535653316114 0.464346683885537 13 0.65 0.8 0 35.6968531231 33 0.9 42 0.4 0 0 0 0 0 0 "Unambiguous" +21603.925769 463.0682297 "C24H16O10" "O10" "CHO" 24 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.07550615216 463.06707028124 2.49834077561174 2.5 463 462.551163577858 0.448836422142392 17 0.416666666666667 0.666666666666667 7 35.6980266718 34 1 50 0.3 0 0 0 0 0 0 "Unambiguous" +42114.554628 463.0735322 "C17H20O15" "O15" "CHO" 17 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.08080865216 463.07294352034 1.26848524870829 1.27 463 462.556460157039 0.443539842961286 8 0.882352941176471 1.17647058823529 -7 35.6984784594231 32 0.9 36 0.6 0 0 0 0 0 0 "Unambiguous" +498258.729267 463.0889391 "C21H20O12" "O12" "CHO" 21 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.09621555216 463.08819965344 1.59330443816736 1.59 463 462.571849853557 0.428150146443443 12 0.571428571428571 0.952380952380952 0 35.6996520081231 33 0.9 44 0.5 464.0928762 77763.4399 465.0953318 4627.573481 0 0 "Unambiguous" +39294.032751 463.1042715 "C25H20O9" "O9" "CHO" 25 20 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.11154795216 463.10345578654 1.75758061523095 1.76 463 462.587165133262 0.412834866738308 16 0.36 0.8 7 35.7008255568231 34 1 52 0.4 0 0 0 0 0 0 "Unambiguous" +137776.290517 463.1098557 "C18H24O14" "O14" "CHO" 18 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.11713215216 463.10932902564 1.134787585972 1.13 463 462.592743097894 0.407256902105871 7 0.777777777777778 1.33333333333333 -7 35.7012773444462 32 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +541389.658258 463.1253447 "C22H24O11" "O11" "CHO" 22 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.13262115216 463.12458515874 1.63647463122199 1.64 463 462.608214802738 0.39178519726164 11 0.5 1.09090909090909 0 35.7024508931461 33 0.9 46 0.5 464.1286091 73823.685171 0 0 0 0 "Unambiguous" +11585.616693 463.1408972 "C26H24O8" "O8" "CHO" 26 24 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.14817365216 463.13984129184 2.2749376598017 2.27 463 462.623749936678 0.376250063322118 15 0.307692307692308 0.923076923076923 7 35.7036244418462 34 1 54 0.4 0 0 0 0 0 0 "Unambiguous" +101062.58827 463.1459152 "C19H28O13" "O13" "CHO" 19 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.15319165216 463.14571453094 0.432333685550338 0.43 463 462.628762333534 0.371237666465731 6 0.684210526315789 1.47368421052632 -7 35.7040762294692 32 0.9 40 0.7 0 0 0 0 0 0 "Unambiguous" +379829.557858 463.1614195 "C23H28O10" "O10" "CHO" 23 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.16869595216 463.16097066404 0.96696732025559 0.97 463 462.644249321294 0.35575067870559 10 0.434782608695652 1.21739130434783 0 35.7052497781692 33 0.9 48 0.6 464.165181 47950.486573 0 0 0 0 "Unambiguous" +15116.932867 463.1823994 "C20H32O12" "O12" "CHO" 20 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.18967585216 463.18210003624 0.644916885569084 0.64 463 462.665205794951 0.334794205049377 5 0.6 1.6 -7 35.7068751144923 32 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +310607.823987 463.1979359 "C24H32O9" "O9" "CHO" 24 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.20521235216 463.19735616934 1.24886719194332 1.25 463 462.680724946756 0.319275053244098 9 0.375 1.33333333333333 0 35.7080486631923 33 0.9 50 0.6 464.2016662 17424.126021 0 0 0 0 "Unambiguous" +118570.95369 463.2344066 "C25H36O8" "O8" "CHO" 25 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.24168305216 463.23374167464 1.4322827619474 1.43 463 462.717154923246 0.282845076753517 8 0.32 1.44 0 35.7108475482154 33 0.9 52 0.7 464.2374665 5484.463445 0 0 0 0 "Unambiguous" +35472.030986 463.2711659 "C26H40O7" "O7" "CHO" 26 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 464.27844235216 463.27012717994 2.23727824785713 2.24 463 462.753873177484 0.24612682251626 7 0.269230769230769 1.53846153846154 0 35.7136464332385 33 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +11609.111367 465.0322393 "C19H14O14" "O14" "CHO" 19 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.03951575216 465.03107870664 2.4903325165073 2.49 465 464.512980147193 0.487019852807407 13 0.736842105263158 0.736842105263158 -1 35.8491042429846 33 0.9 40 0.3 0 0 0 0 0 0 "Unambiguous" +302318.133463 465.0682852 "C20H18O13" "O13" "CHO" 20 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.07556165216 465.06746421194 1.76149132793648 1.76 465 464.548985798019 0.451014201981366 12 0.65 0.9 -1 35.8519031280077 33 0.9 42 0.4 466.0716139 16328.525822 0 0 0 0 "Unambiguous" +117789.655507 465.0833628 "C24H18O10" "O10" "CHO" 24 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.09063925216 465.08272034504 1.37839060875295 1.38 465 464.564046562236 0.435953437764283 16 0.416666666666667 0.75 6 35.8530766767077 34 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +21924.603305 465.0888052 "C17H22O15" "O15" "CHO" 17 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.09608165216 465.08859358414 0.454017676576053 0.45 465 464.569482885203 0.430517114796658 7 0.882352941176471 1.29411764705882 -8 35.8535284643308 32 0.9 36 0.6 0 0 0 0 0 0 "Unambiguous" +559577.052689 465.1044489 "C21H22O12" "O12" "CHO" 21 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.11172535216 465.10384971724 1.28549171247346 1.29 465 464.585109117308 0.41489088269185 11 0.571428571428571 1.04761904761905 -1 35.8547020130308 33 0.9 44 0.5 466.107894 68098.611331 0 0 0 0 "Unambiguous" +64695.594499 465.1201159 "C25H22O9" "O9" "CHO" 25 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.12739235216 465.11910585034 2.16689616740478 2.17 465 464.600758623396 0.399241376604039 15 0.36 0.88 6 35.8558755617308 34 0.9 52 0.4 0 0 0 0 0 0 "Unambiguous" +15583.179953 465.125448 "C18H26O14" "O14" "CHO" 18 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.13272445216 465.12497908944 1.00595932321104 1.01 465 464.606084769525 0.393915230474533 6 0.777777777777778 1.44444444444444 -8 35.8563273493538 32 0.9 38 0.7 0 0 0 0 0 0 "Unambiguous" +495449.862995 465.1410063 "C22H26O11" "O11" "CHO" 22 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.14828275216 465.14023522254 1.65414630608291 1.65 465 464.621625696989 0.378374303011299 10 0.5 1.18181818181818 -1 35.8575008980538 33 0.9 46 0.6 466.1442423 47620.37852 0 0 0 0 "Unambiguous" +48831.864863 465.1563814 "C26H26O8" "O8" "CHO" 26 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.16365785216 465.15549135564 1.9092958984609 1.91 465 464.636983629015 0.363016370985349 14 0.307692307692308 1 6 35.8586744467539 34 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +8833.27429 465.1610567 "C19H30O13" "O13" "CHO" 19 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.16833315216 465.16136459474 -0.660479741101236 0.66 465 464.641653708533 0.358346291467058 5 0.684210526315789 1.57894736842105 -8 35.8591262343769 32 0.9 40 0.8 0 0 0 0 0 0 "Unambiguous" +376841.077878 465.1772855 "C23H30O10" "O10" "CHO" 23 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.18456195216 465.17662072784 1.42598493001762 1.43 465 464.65786438731 0.342135612690129 9 0.434782608695652 1.30434782608696 -1 35.8602997830769 33 0.9 48 0.6 466.1804078 47540.918157 0 0 0 0 "Unambiguous" +14073.76732 465.1923569 "C27H30O7" "O7" "CHO" 27 30 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.19963335216 465.19187686094 1.02968562317879 1.03 465 464.67291895845 0.327081041550002 13 0.259259259259259 1.11111111111111 6 35.8614733317769 34 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +241030.570848 465.2137208 "C24H34O9" "O9" "CHO" 24 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.22099725216 465.21300623314 1.53267841687705 1.53 465 464.694259003328 0.305740996671602 8 0.375 1.41666666666667 -1 35.8630986681 33 0.9 50 0.7 466.2170061 25585.603311 0 0 0 0 "Unambiguous" +61699.050313 465.2502815 "C25H38O8" "O8" "CHO" 25 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 466.25755795216 465.24939173844 1.90830485177663 1.91 465 464.730778879324 0.269221120675809 7 0.32 1.52 -1 35.8658975531231 33 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +73343.546329 467.0480037 "C19H16O14" "O14" "CHO" 19 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.05528015216 467.04672877044 2.72388671607967 2.72 467 466.526493726656 0.473506273344469 12 0.736842105263158 0.842105263157895 -2 36.0041542478923 33 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +110496.656158 467.0630599 "C23H16O11" "O11" "CHO" 23 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.07033635216 467.06198490354 2.29665581535161 2.3 467 466.541533114768 0.458466885231928 16 0.478260869565217 0.695652173913043 5 36.0053277965923 34 0.9 48 0.3 0 0 0 0 0 0 "Unambiguous" +427792.660286 467.0837825 "C20H20O13" "O13" "CHO" 20 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.09105895216 467.08311427574 1.42755185599592 1.43 467 466.562232575728 0.437767424272181 11 0.65 1 -2 36.0069531329154 33 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +187324.001889 467.0994987 "C24H20O10" "O10" "CHO" 24 20 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.10677515216 467.09837040884 2.41032862575138 2.41 467 466.577931226879 0.422068773121453 15 0.416666666666667 0.833333333333333 5 36.0081266816154 34 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +4034.368872 467.1042808 "C17H24O15" "O15" "CHO" 17 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.11155725216 467.10424364794 0.0793658252087612 0.08 467 466.582707987143 0.417292012857047 6 0.882352941176471 1.41176470588235 -9 36.0085784692385 32 0.9 36 0.7 0 0 0 0 0 0 "Unambiguous" +499931.249336 467.1202009 "C21H24O12" "O12" "CHO" 21 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.12747735216 467.11949978104 1.49770947860003 1.5 467 466.598610310617 0.401389689382995 10 0.571428571428571 1.14285714285714 -2 36.0097520179385 33 0.9 44 0.5 468.1234945 70437.729419 469.1259159 10311.850897 0 0 "Unambiguous" +145567.520957 467.135699 "C25H24O9" "O9" "CHO" 25 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.14297545216 467.13475591414 2.01452528277362 2.01 467 466.6140911053 0.385908894699867 14 0.36 0.96 5 36.0109255666385 34 0.9 52 0.5 468.1382313 11657.026492 0 0 0 0 "Unambiguous" +438512.181767 467.1565231 "C22H28O11" "O11" "CHO" 22 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.16379955216 467.15588528634 1.36237287172739 1.36 467 466.634891952924 0.365108047075978 9 0.5 1.27272727272727 -2 36.0125509029615 33 0.9 46 0.6 468.1599692 38104.273686 469.1634759 2422.764488 0 0 "Unambiguous" +96102.394263 467.1722171 "C26H28O8" "O8" "CHO" 26 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.17949355216 467.17114141944 2.2975815361868 2.3 467 466.650568428863 0.349431571136563 13 0.307692307692308 1.07692307692308 5 36.0137244516615 34 0.9 54 0.5 468.1745675 2351.227037 0 0 0 0 "Unambiguous" +311181.359011 467.1930756 "C23H32O10" "O10" "CHO" 23 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.20035205216 467.19227079164 1.71894010002316 1.72 467 466.671403638076 0.328596361924042 8 0.434782608695652 1.39130434782609 -2 36.0153497879846 33 0.9 48 0.7 468.1961839 41515.187159 0 0 0 0 "Unambiguous" +24947.520656 467.2085092 "C27H32O7" "O7" "CHO" 27 32 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.21578565216 467.20752692474 2.09791145474987 2.1 467 466.68682000478 0.313179995219684 12 0.259259259259259 1.18518518518519 5 36.0165233366846 34 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +171278.517685 467.2293272 "C24H36O9" "O9" "CHO" 24 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.23660365216 467.22865629694 1.43282916117098 1.43 467 466.707614759216 0.292385240784427 7 0.375 1.5 -2 36.0181486730077 33 0.9 50 0.7 468.232536 2835.864941 0 0 0 0 "Unambiguous" +2473.762902 467.2452326 "C28H36O6" "O6" "CHO" 28 36 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.25250905216 467.24391243004 2.81935480217027 2.82 467 466.723502399104 0.276497600896164 11 0.214285714285714 1.28571428571429 5 36.0193222217077 34 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +37059.691049 467.2654925 "C25H40O8" "O8" "CHO" 25 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.27276895216 467.26504180224 0.962468436863193 0.96 467 466.743739676719 0.256260323281481 6 0.32 1.6 -2 36.0209475580308 33 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +2117.454033 467.3015636 "C26H44O7" "O7" "CHO" 26 44 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 468.30884005216 467.30142730754 0.291031149439395 0.29 467 466.779770499406 0.220229500593973 5 0.269230769230769 1.69230769230769 -2 36.0237464430538 33 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +22337.975432 469.0425286 "C22H14O12" "O12" "CHO" 22 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.04980505216 469.04124946204 2.72128175836542 2.72 469 468.518791522334 0.48120847766603 16 0.545454545454545 0.636363636363636 4 36.1575789164769 34 0.9 46 0.3 0 0 0 0 0 0 "Unambiguous" +172395.344906 469.0629747 "C19H18O14" "O14" "CHO" 19 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.07025115216 469.06237883424 1.26761001896161 1.27 469 468.539214792036 0.460785207963966 11 0.736842105263158 0.947368421052632 -3 36.1592042528 33 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +231676.776687 469.0783862 "C23H18O11" "O11" "CHO" 23 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.08566265216 469.07763496734 1.59807609489288 1.6 469 468.554609083417 0.445390916582539 15 0.478260869565217 0.782608695652174 4 36.1603778015 34 0.9 48 0.4 470.0816973 11318.496997 0 0 0 0 "Unambiguous" +433987.108402 469.0993815 "C20H22O13" "O13" "CHO" 20 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.10665795216 469.09876433954 1.31280944352596 1.31 469 468.575580939878 0.424419060122091 10 0.65 1.1 -3 36.1620031378231 33 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +308810.191543 469.1150659 "C24H22O10" "O10" "CHO" 24 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.12234235216 469.11402047264 2.22373468749398 2.22 469 468.591247826537 0.408752173463256 14 0.416666666666667 0.916666666666667 4 36.1631766865231 34 0.9 50 0.4 470.1183998 23115.272985 0 0 0 0 "Unambiguous" +422914.458653 469.1358089 "C21H26O12" "O12" "CHO" 21 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.14308535216 469.13514984484 1.40181825589362 1.4 469 468.611967664718 0.388032335282389 9 0.571428571428571 1.23809523809524 -3 36.1648020228462 33 0.9 44 0.6 470.1393782 27614.417074 0 0 0 0 "Unambiguous" +214351.201808 469.1515537 "C25H26O9" "O9" "CHO" 25 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.15883015216 469.15040597794 2.44113688057269 2.44 469 468.627694883933 0.372305116066684 13 0.36 1.04 4 36.1659755715462 34 0.9 52 0.5 470.1547752 28477.100287 0 0 0 0 "Unambiguous" +340761.120576 469.1720678 "C22H30O11" "O11" "CHO" 22 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.17934425216 469.17153535014 1.13243992209332 1.13 469 468.648186077706 0.35181392229407 8 0.5 1.36363636363636 -3 36.1676009078692 33 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +121872.09898 469.1878934 "C26H30O8" "O8" "CHO" 26 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.19516985216 469.18679148324 2.34353058183235 2.34 469 468.6639940067 0.336005993300375 12 0.307692307692308 1.15384615384615 4 36.1687744565692 34 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +259740.5904 469.208614 "C23H34O10" "O10" "CHO" 23 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.21589045216 469.20792085544 1.47409854520067 1.47 469 468.684691469893 0.315308530107416 7 0.434782608695652 1.47826086956522 -3 36.1703997928923 33 0.9 48 0.7 470.2125217 16279.556603 0 0 0 0 "Unambiguous" +21320.395366 469.224005 "C27H34O7" "O7" "CHO" 27 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.23128145216 469.22317698854 1.76086001218371 1.76 469 468.700065284164 0.299934715835548 11 0.259259259259259 1.25925925925926 4 36.1715733415923 34 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +129879.383742 469.2454101 "C24H38O9" "O9" "CHO" 24 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.25268655216 469.24430636074 2.34711952019664 2.35 469 468.721446483039 0.278553516961381 6 0.375 1.58333333333333 -3 36.1731986779154 33 0.9 50 0.8 470.2476464 2371.233178 0 0 0 0 "Unambiguous" +2908.161111 469.2609427 "C28H38O6" "O6" "CHO" 28 38 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.26821915216 469.25956249384 2.93493394571162 2.93 469 468.736961739199 0.263038260801352 10 0.214285714285714 1.35714285714286 4 36.1743722266154 34 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +50857.617179 469.2818736 "C25H42O8" "O8" "CHO" 25 42 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.28915005216 469.28069186604 2.51278167878313 2.51 469 468.757869267569 0.242130732431292 5 0.32 1.68 -3 36.1759975629385 33 0.9 52 0.8 470.2853901 3102.257383 0 0 0 0 "Unambiguous" +33973.960271 469.3184501 "C26H46O7" "O7" "CHO" 26 46 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.32572655216 469.31707737134 2.91867653106574 2.92 469 468.794404925922 0.205595074077905 4 0.269230769230769 1.76923076923077 -3 36.1787964479615 33 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +13909.074375 469.3536843 "C27H50O6" "O6" "CHO" 27 50 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 470.36096075216 469.35346287664 0.470751993666713 0.47 469 468.8295997831 0.170400216900418 3 0.222222222222222 1.85185185185185 -3 36.1815953329846 33 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +19114.404703 471.0425956 "C18H16O15" "O15" "CHO" 18 16 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.04987205216 471.04164339274 2.01717512586269 2.02 471 470.516625229654 0.483374770346018 11 0.833333333333333 0.888888888888889 -4 36.3114553726846 33 0.9 38 0.4 0 0 0 0 0 0 "Unambiguous" +135509.320464 471.0578565 "C22H16O12" "O12" "CHO" 22 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.06513295216 471.05689952584 2.0272078855907 2.03 471 470.531869089197 0.468130910803268 15 0.545454545454545 0.727272727272727 3 36.3126289213846 34 0.9 46 0.3 472.0614292 5245.119301 0 0 0 0 "Unambiguous" +251492.407507 471.0789865 "C19H20O14" "O14" "CHO" 19 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.08626295216 471.07802889804 2.02844699191643 2.03 471 470.55297549525 0.447024504750061 10 0.736842105263158 1.05263157894737 -4 36.3142542577077 33 0.9 40 0.5 0 0 0 0 0 0 "Unambiguous" +392603.13261 471.0941419 "C23H20O11" "O11" "CHO" 23 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.10141835216 471.09328503114 1.81501013702304 1.82 471 470.568113972595 0.431886027405085 14 0.478260869565217 0.869565217391304 3 36.3154278064077 34 0.9 48 0.4 472.0979282 43953.984988 0 0 0 0 "Unambiguous" +369275.203074 471.1149914 "C20H24O13" "O13" "CHO" 20 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.12226785216 471.11441440334 1.22213396678044 1.22 471 470.588940191857 0.411059808143079 9 0.65 1.2 -4 36.3170531427308 33 0.9 42 0.6 472.1184749 17404.464324 473.1224445 4735.571273 0 0 "Unambiguous" +331285.921738 471.1304457 "C24H24O10" "O10" "CHO" 24 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.13772215216 471.12967053644 1.64181662173785 1.64 471 470.604377235447 0.395622764552513 13 0.416666666666667 1 3 36.3182266914308 34 0.9 50 0.5 472.1336815 35007.553263 0 0 0 0 "Unambiguous" +341380.375121 471.1512189 "C21H28O12" "O12" "CHO" 21 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.15849535216 471.15079990864 0.88739557609889 0.89 471 470.625127239907 0.374872760093183 8 0.571428571428571 1.33333333333333 -4 36.3198520277538 33 0.9 44 0.6 472.1547735 21539.781098 473.1573919 4302.808078 0 0 "Unambiguous" +232864.886251 471.1670264 "C25H28O9" "O9" "CHO" 25 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.17430285216 471.16605604174 2.05508485776997 2.06 471 470.640917089111 0.359082910888901 12 0.36 1.12 3 36.3210255764538 34 0.9 52 0.5 472.1703592 35794.353163 0 0 0 0 "Unambiguous" +284506.798132 471.1877116 "C22H32O11" "O11" "CHO" 22 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.19498805216 471.18718541394 1.11434062906741 1.11 471 470.661579191832 0.338420808168053 7 0.5 1.45454545454545 -4 36.3226509127769 33 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +141009.114344 471.203338 "C26H32O8" "O8" "CHO" 26 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.21061445216 471.20244154704 1.898417639379 1.9 471 470.677188143254 0.322811856745886 11 0.307692307692308 1.23076923076923 3 36.3238244614769 34 0.9 54 0.6 472.2065235 4517.410389 0 0 0 0 "Unambiguous" +189622.27569 471.2241465 "C23H36O10" "O10" "CHO" 23 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.23142295216 471.22357091924 1.2188531556978 1.22 471 470.697973408297 0.302026591702827 6 0.434782608695652 1.56521739130435 -4 36.3254497978 33 0.9 48 0.8 472.2269594 4348.912881 0 0 0 0 "Unambiguous" +60550.534416 471.239348 "C27H36O7" "O7" "CHO" 27 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.24662445216 471.23882705234 1.10312627571278 1.1 471 470.713157934166 0.286842065833582 10 0.259259259259259 1.33333333333333 3 36.3266233465 34 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +120728.046277 471.2605479 "C24H40O9" "O9" "CHO" 24 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.26782435216 471.25995642454 1.25241532346578 1.25 471 470.734334162169 0.265665837831307 5 0.375 1.66666666666667 -4 36.3282486828231 33 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +4317.067339 471.2759857 "C28H40O6" "O6" "CHO" 28 40 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.28326215216 471.27521255764 1.63703104027757 1.64 471 470.749754724183 0.250245275816724 9 0.214285714285714 1.42857142857143 3 36.3294222315231 34 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +66006.385795 471.297386 "C25H44O8" "O8" "CHO" 25 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.30466245216 471.29634192984 2.21058618090101 2.21 471 470.771131128417 0.228868871582847 4 0.32 1.76 -4 36.3310475678462 33 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +11534.711835 471.3334604 "C26H48O7" "O7" "CHO" 26 48 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 472.34073685216 471.33272743514 1.55177142855983 1.55 471 470.80716524742 0.192834752580211 3 0.269230769230769 1.84615384615385 -4 36.3338464528692 33 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +35283.590439 473.037199 "C21H14O13" "O13" "CHO" 21 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.04447545216 473.03616408434 2.18316152511404 2.18 473 472.509001437679 0.490998562321465 15 0.619047619047619 0.666666666666667 2 36.4648800412692 34 0.9 44 0.3 0 0 0 0 0 0 "Unambiguous" +50477.8136 473.057783 "C18H18O15" "O15" "CHO" 18 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.06505945216 473.05729345654 1.0326503719919 1.03 473 472.5295624534 0.470437546599726 10 0.833333333333333 1 -5 36.4665053775923 33 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +304017.357717 473.0738112 "C22H18O12" "O12" "CHO" 22 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.08108765216 473.07254958964 2.66116998322562 2.66 473 472.545572756169 0.454427243830992 14 0.545454545454545 0.818181818181818 2 36.4676789262923 34 0.9 46 0.4 474.0771085 26693.604434 0 0 0 0 "Unambiguous" +237301.481312 473.0942017 "C19H22O14" "O14" "CHO" 19 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.10147815216 473.09367896184 1.10258707064995 1.1 473 472.565940487954 0.434059512045508 9 0.736842105263158 1.15789473684211 -5 36.4693042626154 33 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +443669.148653 473.1097336 "C23H22O11" "O11" "CHO" 23 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.11701005216 473.10893509494 1.68419407684427 1.68 473 472.581455044896 0.418544955103755 13 0.478260869565217 0.956521739130435 2 36.4704778113154 34 0.9 48 0.5 474.1135475 84128.217824 0 0 0 0 "Unambiguous" +281335.513417 473.1304074 "C20H26O13" "O13" "CHO" 20 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.13768385216 473.13006446714 0.723276954536858 0.72 473 472.602105760346 0.39789423965351 8 0.65 1.3 -5 36.4721031476385 33 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +339534.250874 473.1462896 "C24H26O10" "O10" "CHO" 24 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.15356605216 473.14532060024 2.04364119429246 2.04 473 472.61797022614 0.382029773859983 12 0.416666666666667 1.08333333333333 2 36.4732766963385 34 0.9 50 0.5 474.1499734 43358.288283 0 0 0 0 "Unambiguous" +263891.533791 473.1671042 "C21H30O12" "O12" "CHO" 21 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.17438065216 473.16644997244 1.37971933259161 1.38 473 472.638761584372 0.361238415628293 7 0.571428571428571 1.42857142857143 -5 36.4749020326615 33 0.9 44 0.7 474.1705896 16090.54227 475.1733985 4258.234139 0 0 "Unambiguous" +276319.167694 473.1824076 "C25H30O9" "O9" "CHO" 25 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.18968405216 473.18170610554 1.47935411411738 1.48 473 472.654047896459 0.345952103541435 11 0.36 1.2 2 36.4760755813615 34 0.9 52 0.6 474.186246 45860.512776 0 0 0 0 "Unambiguous" +186505.635792 473.2032688 "C22H34O11" "O11" "CHO" 22 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.21054525216 473.20283547774 0.913776094463507 0.91 473 472.674885802656 0.325114197343737 6 0.5 1.54545454545455 -5 36.4777009176846 33 0.9 46 0.7 474.206071 8848.022152 0 0 0 0 "Unambiguous" +167453.280377 473.2190952 "C26H34O8" "O8" "CHO" 26 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.22637165216 473.21809161084 2.11626602820602 2.12 473 472.690694530757 0.309305469243327 10 0.307692307692308 1.30769230769231 2 36.4788744663846 34 0.9 54 0.6 474.2218981 3776.388385 0 0 0 0 "Unambiguous" +143648.415979 473.2399556 "C23H38O10" "O10" "CHO" 23 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.24723205216 473.23922098304 1.54901686359073 1.55 473 472.711531637848 0.288468362152344 5 0.434782608695652 1.65217391304348 -5 36.4804998027077 33 0.9 48 0.8 474.2445155 2136.192066 0 0 0 0 "Unambiguous" +41121.476727 473.2555243 "C27H38O7" "O7" "CHO" 27 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.26280075216 473.25447711614 2.20802445047112 2.21 473 472.727082953698 0.27291704630187 9 0.259259259259259 1.40740740740741 2 36.4816733514077 34 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +23865.988249 473.2763616 "C24H42O9" "O9" "CHO" 24 42 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.28363805216 473.27560648834 1.59210986720857 1.59 473 472.747896986583 0.252103013417184 4 0.375 1.75 -5 36.4832986877308 33 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +4570.957201 473.2910079 "C28H42O6" "O6" "CHO" 28 42 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.29828435216 473.29086262144 0.306302098922126 0.31 473 472.762526932393 0.237473067606572 8 0.214285714285714 1.5 2 36.4844722364308 34 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +4296.57566 473.3122224 "C25H46O8" "O8" "CHO" 25 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 474.31949885216 473.31199199364 0.485761940129334 0.49 473 472.783717744093 0.216282255906833 3 0.32 1.84 -5 36.4860975727538 33 0.9 52 0.9 0 0 0 0 0 0 "Unambiguous" +137732.837377 475.0529261 "C21H16O13" "O13" "CHO" 21 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.06020255216 475.05181414814 2.33573790459129 2.34 475 474.522477758791 0.477522241208987 14 0.619047619047619 0.761904761904762 1 36.6199300461769 34 0.9 44 0.4 0 0 0 0 0 0 "Unambiguous" +2471.553645 475.066498 "C25H16O10" "O10" "CHO" 25 16 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.07377445216 475.06707028124 -1.20208520343176 1.2 475 474.536034504286 0.463965495713694 18 0.4 0.64 8 36.6211035948769 35 1 52 0.3 0 0 0 0 0 0 "Unambiguous" +86703.763702 475.0736916 "C18H20O15" "O15" "CHO" 18 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.08096805216 475.07294352034 1.57132863990372 1.57 475 474.543220071848 0.456779928151775 9 0.833333333333333 1.11111111111111 -6 36.6215553825 33 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +448530.673178 475.0890532 "C22H20O12" "O12" "CHO" 22 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.09632965216 475.08819965344 1.79280222684854 1.79 475 474.558564518948 0.441435481051542 13 0.545454545454545 0.909090909090909 1 36.6227289312 34 0.9 46 0.4 476.0925101 45227.978865 0 0 0 0 "Unambiguous" +202398.405751 475.109729 "C19H24O14" "O14" "CHO" 19 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.11700545216 475.10932902564 0.840075770058969 0.84 475 474.579217232165 0.42078276783451 8 0.736842105263158 1.26315789473684 -6 36.6243542675231 33 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +524374.379793 475.1253971 "C23H24O11" "O11" "CHO" 23 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.13267355216 475.12458515874 1.70528364276975 1.71 475 474.594867837025 0.405132162975008 12 0.478260869565217 1.04347826086957 1 36.6255278162231 34 0.9 48 0.5 476.1289039 69866.348156 0 0 0 0 "Unambiguous" +183889.846483 475.1464557 "C20H28O13" "O13" "CHO" 20 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.15373215216 475.14571453094 1.5565751352122 1.56 475 474.615902922804 0.384097077195861 7 0.65 1.4 -6 36.6271531525461 33 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +373828.866492 475.161654 "C24H28O10" "O10" "CHO" 24 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.16893045216 475.16097066404 1.4350704473702 1.44 475 474.631084252247 0.36891574775342 11 0.416666666666667 1.16666666666667 1 36.6283267012462 34 0.9 50 0.6 476.1650558 50247.302315 0 0 0 0 "Unambiguous" +114397.927614 475.1826028 "C21H32O12" "O12" "CHO" 21 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.18987925216 475.18210003624 1.05580521960859 1.06 475 474.652009660629 0.347990339370654 6 0.571428571428571 1.52380952380952 -6 36.6299520375692 33 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +313377.297622 475.1983217 "C25H32O9" "O9" "CHO" 25 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.20559815216 475.19735616934 2.0275499989625 2.03 475 474.667711008765 0.332288991234805 10 0.36 1.28 1 36.6311255862692 34 0.9 52 0.6 476.2019041 32769.899046 0 0 0 0 "Unambiguous" +85711.458949 475.2190821 "C22H36O11" "O11" "CHO" 22 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.22635855216 475.21848554154 1.25267837301422 1.25 475 474.688448227517 0.311551772482972 5 0.5 1.63636363636364 -6 36.6327509225923 33 0.9 46 0.8 476.2226223 3563.93797 0 0 0 0 "Unambiguous" +167188.469772 475.2349065 "C26H36O8" "O8" "CHO" 26 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.24218295216 475.23374167464 2.44586767349125 2.45 475 474.704254957851 0.295745042149292 9 0.307692307692308 1.38461538461538 1 36.6339244712923 34 0.9 54 0.7 476.238128 19696.298501 0 0 0 0 "Unambiguous" +3326.664358 475.2552825 "C23H40O10" "O10" "CHO" 23 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.26255895216 475.25487104684 0.863920861102362 0.86 475 474.724608205827 0.275391794172947 4 0.434782608695652 1.73913043478261 -6 36.6355498076154 33 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +18366.29687 475.2704101 "C27H40O7" "O7" "CHO" 27 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.27768655216 475.27012717994 0.594023335495188 0.59 475 474.739718914214 0.260281085786289 8 0.259259259259259 1.48148148148148 1 36.6367233563154 34 0.9 56 0.7 476.2734672 2364.207055 0 0 0 0 "Unambiguous" +6174.672504 475.3071161 "C28H44O6" "O6" "CHO" 28 44 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 476.31439255216 475.30651268524 1.26684133292206 1.27 475 474.776383927966 0.223616072033792 7 0.214285714285714 1.57142857142857 1 36.6395222413385 34 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +3083.112871 477.0324823 "C20H14O14" "O14" "CHO" 20 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.03975875216 477.03107870664 2.93614356205542 2.94 477 476.499823568654 0.500176431346404 14 0.7 0.7 0 36.7721811660615 34 0.9 42 0.3 0 0 0 0 0 0 "Unambiguous" +267245.42913 477.0685819 "C21H18O13" "O13" "CHO" 21 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.07585835216 477.06746421194 2.33788851815529 2.34 477 476.535882859518 0.464117140482244 13 0.619047619047619 0.857142857142857 0 36.7749800510846 34 0.9 44 0.4 478.0717216 10488.035779 0 0 0 0 "Unambiguous" +21722.354951 477.0838705 "C25H18O10" "O10" "CHO" 25 18 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.09114695216 477.08272034504 2.4057231917372 2.41 477 476.55115438813 0.448845611869615 17 0.4 0.72 7 36.7761535997846 35 1 52 0.3 0 0 0 0 0 0 "Unambiguous" +118635.197842 477.0891564 "C18H22O15" "O15" "CHO" 18 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.09643285216 477.08859358414 1.17720154624442 1.18 477 476.556434385847 0.443565614152817 8 0.833333333333333 1.22222222222222 -7 36.7766053874077 33 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +549710.489382 477.104702 "C22H22O12" "O12" "CHO" 22 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.11197845216 477.10384971724 1.7826007261693 1.78 477 476.571962627491 0.428037372508641 12 0.545454545454545 1 0 36.7777789361077 34 0.9 46 0.5 478.1081441 64679.623764 0 0 0 0 "Unambiguous" +17217.407212 477.1200366 "C26H22O9" "O9" "CHO" 26 22 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.12731305216 477.11910585034 1.94665653816572 1.95 477 476.58728010474 0.412719895259954 16 0.346153846153846 0.846153846153846 7 36.7789524848077 35 1 54 0.4 0 0 0 0 0 0 "Unambiguous" +122063.645261 477.1254552 "C19H26O14" "O14" "CHO" 19 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.13273165216 477.12497908944 0.995770689744858 1 477 476.592692654283 0.407307345717129 7 0.736842105263158 1.36842105263158 -7 36.7794042724308 33 0.9 40 0.7 0 0 0 0 0 0 "Unambiguous" +496039.598017 477.1410687 "C23H26O11" "O11" "CHO" 23 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.14834515216 477.14023522254 1.74313572020497 1.74 477 476.608288720109 0.391711279890728 11 0.478260869565217 1.1304347826087 0 36.7805778211308 34 0.9 48 0.5 478.1446498 87911.117348 0 0 0 0 "Unambiguous" +6355.366304 477.1569084 "C27H26O8" "O8" "CHO" 27 26 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.16418485216 477.15549135564 2.96351003457208 2.96 477 476.624110733359 0.375889266641195 15 0.296296296296296 0.962962962962963 7 36.7817513698308 35 1 56 0.5 0 0 0 0 0 0 "Unambiguous" +61589.129885 477.1613262 "C20H30O13" "O13" "CHO" 20 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.16860265216 477.16136459474 -0.0802954016120637 0.08 477 476.628523600404 0.37147639959619 6 0.65 1.5 -7 36.7822031574538 33 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +389598.313941 477.1774982 "C24H30O10" "O10" "CHO" 24 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.18477465216 477.17662072784 1.83500647967929 1.84 477 476.644677542604 0.355322457395857 10 0.416666666666667 1.25 0 36.7833767061538 34 0.9 50 0.6 478.1815261 49618.975006 0 0 0 0 "Unambiguous" +4940.411548 477.1983525 "C21H34O12" "O12" "CHO" 21 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.20562895216 477.19775010004 1.25970905297231 1.26 477 476.665508556506 0.334491443493562 5 0.571428571428571 1.61904761904762 -7 36.7850020424769 33 0.9 44 0.8 0 0 0 0 0 0 "Unambiguous" +228643.727653 477.2138098 "C25H34O9" "O9" "CHO" 25 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.22108625216 477.21300623314 1.68032502766354 1.68 477 476.680948596747 0.319051403252843 9 0.36 1.36 0 36.7861755911769 34 0.9 52 0.7 478.2170041 26218.616965 0 0 0 0 "Unambiguous" +107697.309071 477.2506173 "C26H38O8" "O8" "CHO" 26 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.25789375216 477.24939173844 2.56255375183018 2.56 477 476.717714997164 0.282285002836147 8 0.307692307692308 1.46153846153846 0 36.7889744762 34 0.9 54 0.7 478.2534529 6209.737855 0 0 0 0 "Unambiguous" +15682.324846 477.2863917 "C27H42O7" "O7" "CHO" 27 42 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 478.29366815216 477.28577724374 1.28468407793566 1.28 477 476.753449451149 0.246550548850735 7 0.259259259259259 1.55555555555556 0 36.7917733612231 34 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +3535.280626 478.9581647 "C14H8O19" "O19" "CHO" 14 8 19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 479.96544115216 478.95870162674 -1.11867791708909 1.12 479 478.423355734483 0.576644265517473 11 1.35714285714286 0.571428571428571 -8 36.9204598522231 33 0.9 30 0.3 0 0 0 0 0 0 "Unambiguous" +51084.505737 479.0474196 "C20H16O14" "O14" "CHO" 20 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.05469605216 479.04672877044 1.43906426841078 1.44 479 478.512510971664 0.487489028336199 13 0.7 0.8 -1 36.9272311709692 34 0.9 42 0.4 0 0 0 0 0 0 "Unambiguous" +7997.106894 479.0609429 "C24H16O11" "O11" "CHO" 24 16 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.06821935216 479.06198490354 -2.17053222441543 2.17 479 478.526019171426 0.473980828573815 17 0.458333333333333 0.666666666666667 6 36.9284047196692 35 0.9 50 0.3 0 0 0 0 0 0 "Unambiguous" +399445.042061 479.0839098 "C21H20O13" "O13" "CHO" 21 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.09118625216 479.08311427574 1.65702742061056 1.66 479 478.548960426381 0.451039573619482 12 0.619047619047619 0.952380952380952 -1 36.9300300559923 34 0.9 44 0.5 480.0874636 29024.414147 0 0 0 0 "Unambiguous" +63104.811047 479.1048178 "C18H24O15" "O15" "CHO" 18 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.11209425216 479.10424364794 1.1958708536118 1.2 479 478.569845080321 0.430154919679126 7 0.833333333333333 1.33333333333333 -8 36.9316553923154 33 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +538952.046922 479.1201375 "C22H24O12" "O12" "CHO" 22 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.12741395216 479.11949978104 1.32822859412745 1.33 479 478.585147674207 0.414852325792992 11 0.545454545454545 1.09090909090909 -1 36.9328289410154 34 0.9 46 0.5 480.1236857 51213.501981 481.126746 8346.090098 0 0 "Unambiguous" +65801.826561 479.1359847 "C26H24O9" "O9" "CHO" 26 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.14326115216 479.13475591414 2.55920671896738 2.56 479 478.600977179082 0.399022820918049 15 0.346153846153846 0.923076923076923 6 36.9340024897154 35 0.9 54 0.4 480.1379978 11781.312376 0 0 0 0 "Unambiguous" +34945.252064 479.1407099 "C19H28O14" "O14" "CHO" 19 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.14798635216 479.14062915324 0.168170568926778 0.17 479 478.605697102881 0.394302897118621 6 0.736842105263158 1.47368421052632 -8 36.9344542773385 33 0.9 40 0.7 0 0 0 0 0 0 "Unambiguous" +460779.48576 479.1566931 "C23H28O11" "O11" "CHO" 23 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.16396955216 479.15588528634 1.68237042183071 1.68 479 478.621662455897 0.378337544102521 10 0.478260869565217 1.21739130434783 -1 36.9356278260385 34 0.9 48 0.6 480.1604763 42535.284221 0 0 0 0 "Unambiguous" +45706.450195 479.1722722 "C27H28O8" "O8" "CHO" 27 28 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.17954865216 479.17114141944 2.35491195570092 2.35 479 478.637224160135 0.362775839864753 14 0.296296296296296 1.03703703703704 6 36.9368013747385 35 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +3973.728313 479.177257 "C20H32O13" "O13" "CHO" 20 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.18453345216 479.17701465854 0.504684018622484 0.5 479 478.642203394063 0.357796605936983 5 0.65 1.6 -8 36.9372531623615 33 0.9 42 0.8 0 0 0 0 0 0 "Unambiguous" +340075.732045 479.1931147 "C24H32O10" "O10" "CHO" 24 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.20039115216 479.19227079164 1.75740873096815 1.76 479 478.658043387214 0.341956612786419 9 0.416666666666667 1.33333333333333 -1 36.9384267110615 34 0.9 50 0.6 480.1967052 56981.673695 0 0 0 0 "Unambiguous" +187041.883991 479.22943 "C25H36O9" "O9" "CHO" 25 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.23670645216 479.22865629694 1.61108688616401 1.61 479 478.694318137225 0.305681862774861 8 0.36 1.44 -1 36.9412255960846 34 0.9 52 0.7 480.2331296 21769.931895 0 0 0 0 "Unambiguous" +68268.161637 479.2662225 "C26H40O8" "O8" "CHO" 26 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 480.27349895216 479.26504180224 2.45838623735796 2.46 479 478.731069554391 0.268930445608987 7 0.307692307692308 1.53846153846154 -1 36.9440244811077 34 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +5513.262295 481.0412966 "C23H14O12" "O12" "CHO" 23 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.04857305216 481.04124946204 0.0977867431435782 0.1 481 480.504161590793 0.49583840920684 17 0.521739130434783 0.608695652173913 5 37.0806558395538 35 0.9 48 0.3 0 0 0 0 0 0 "Unambiguous" +164533.24425 481.0631958 "C20H18O14" "O14" "CHO" 20 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.07047225216 481.06237883424 1.69470193059634 1.69 481 480.526036337951 0.473963662049243 12 0.7 0.9 -2 37.0822811758769 34 0.9 42 0.4 0 0 0 0 0 0 "Unambiguous" +153315.283566 481.0784572 "C24H18O11" "O11" "CHO" 24 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.08573365216 481.07763496734 1.70557351655802 1.71 481 480.541280696935 0.458719303064811 16 0.458333333333333 0.75 5 37.0834547245769 35 0.9 50 0.4 482.0809778 12948.82 0 0 0 0 "Unambiguous" +440149.555045 481.0997407 "C21H22O13" "O13" "CHO" 21 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.10701715216 481.09876433954 2.02519445948472 2.03 481 480.562540431589 0.437459568411043 11 0.619047619047619 1.04761904761905 -2 37.0850800609 34 0.9 44 0.5 482.1027539 45524.243302 483.1054295 11887.570151 0 0 "Unambiguous" +456476.998136 481.1358913 "C22H26O12" "O12" "CHO" 22 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.14316775216 481.13514984484 1.53783193369524 1.54 481 480.598650665506 0.401349334493943 10 0.545454545454545 1.18181818181818 -2 37.0878789459231 34 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +138001.718504 481.1513928 "C26H26O9" "O9" "CHO" 26 26 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.15866925216 481.15040597794 2.04667492864155 2.05 481 480.614134856393 0.385865143607361 14 0.346153846153846 1 5 37.0890524946231 35 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +395211.438474 481.1722512 "C23H30O11" "O11" "CHO" 23 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.17952765216 481.17153535014 1.48461271984369 1.48 481 480.634969965717 0.365030034283109 9 0.478260869565217 1.30434782608696 -2 37.0906778309462 34 0.9 48 0.6 482.1753839 33526.01862 0 0 0 0 "Unambiguous" +88064.908571 481.1879523 "C27H30O8" "O8" "CHO" 27 30 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.19522875216 481.18679148324 2.4073584530927 2.41 481 480.650653533728 0.349346466271641 13 0.296296296296296 1.11111111111111 5 37.0918513796462 35 0.9 56 0.5 482.1914813 5314.958593 0 0 0 0 "Unambiguous" +290595.511339 481.2084089 "C24H34O10" "O10" "CHO" 24 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.21568535216 481.20792085544 1.01208769198963 1.01 481 480.671087291706 0.328912708293956 8 0.416666666666667 1.41666666666667 -2 37.0934767159692 34 0.9 50 0.7 482.21223 25981.896121 0 0 0 0 "Unambiguous" +146451.500314 481.2448838 "C25H38O9" "O9" "CHO" 25 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.25216025216 481.24430636074 1.19738034919236 1.2 481 480.707521463507 0.292478536493149 7 0.36 1.52 -2 37.0962756009923 34 0.9 52 0.7 482.2470098 2876.946526 0 0 0 0 "Unambiguous" +4199.8843 481.3546794 "C28H50O6" "O6" "CHO" 28 50 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 482.36195585216 481.35346287664 2.52201349063562 2.52 481 480.817194464759 0.182805535240959 4 0.214285714285714 1.78571428571429 -2 37.1046722560615 34 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +12240.595509 483.0427585 "C19H16O15" "O15" "CHO" 19 16 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.05003495216 483.04164339274 2.30370246775083 2.3 483 482.503388640555 0.496611359444671 12 0.789473684210526 0.842105263157895 -3 37.2345322957615 34 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +99699.037804 483.0581778 "C23H16O12" "O12" "CHO" 23 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.06545425216 483.05689952584 2.64070519554807 2.64 483 482.518790723227 0.481209276772745 16 0.521739130434783 0.695652173913043 4 37.2357058444615 35 0.9 48 0.3 0 0 0 0 0 0 "Unambiguous" +267430.908356 483.0790751 "C20H20O14" "O14" "CHO" 20 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.08635155216 483.07802889804 2.16118871495196 2.16 483 482.539664689115 0.460335310884659 11 0.7 1 -3 37.2373311807846 34 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +240368.676127 483.0942011 "C24H20O11" "O11" "CHO" 24 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.10147755216 483.09328503114 1.8923075067936 1.89 483 482.554773799289 0.445226200711375 15 0.458333333333333 0.833333333333333 4 37.2385047294846 35 0.9 50 0.4 484.0972449 26234.082763 0 0 0 0 "Unambiguous" +464603.74721 483.1150321 "C21H24O13" "O13" "CHO" 21 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.12230855216 483.11441440334 1.27591034146394 1.28 483 482.575581539208 0.424418460792083 10 0.619047619047619 1.14285714285714 -3 37.2401300658077 34 0.9 44 0.5 484.1183247 36302.999007 485.1209407 11095.418546 0 0 "Unambiguous" +244088.206314 483.130418 "C25H24O10" "O10" "CHO" 25 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.13769445216 483.12967053644 1.54390696813876 1.54 483 482.590950259175 0.409049740825424 14 0.4 0.96 4 37.2413036145077 35 0.9 52 0.5 484.1338648 36367.94404 0 0 0 0 "Unambiguous" +405511.468277 483.1514115 "C22H28O12" "O12" "CHO" 22 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.15868795216 483.15079990864 1.26320434849795 1.26 483 482.611920317645 0.388079682355112 9 0.545454545454545 1.27272727272727 -3 37.2429289508308 34 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +171472.815035 483.16717 "C26H28O9" "O9" "CHO" 26 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.17444645216 483.16605604174 2.30073740608051 2.3 483 482.627661221563 0.372338778436983 13 0.346153846153846 1.07692307692308 4 37.2441024995308 35 0.9 54 0.5 484.1703619 10288.512002 0 0 0 0 "Unambiguous" +335274.593932 483.1878271 "C23H32O11" "O11" "CHO" 23 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.19510355216 483.18718541394 1.32526342235512 1.33 483 482.648295255661 0.351704744339372 8 0.478260869565217 1.39130434782609 -3 37.2457278358538 34 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +79047.105789 483.2033479 "C27H32O8" "O8" "CHO" 27 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.21062435216 483.20244154704 1.87181551664573 1.87 483 482.663798724997 0.336201275003361 12 0.296296296296296 1.18518518518519 4 37.2469013845538 35 0.9 56 0.6 484.2069275 3486.076618 0 0 0 0 "Unambiguous" +231748.672068 483.2242562 "C24H36O10" "O10" "CHO" 24 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.23153265216 483.22357091924 1.41519234884905 1.42 483 482.684683678602 0.315316321397859 7 0.416666666666667 1.5 -3 37.2485267208769 34 0.9 50 0.7 484.2281995 7122.250195 0 0 0 0 "Unambiguous" +108050.080161 483.2606435 "C25H40O9" "O9" "CHO" 25 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.26791995216 483.25995642454 1.41879201925065 1.42 483 482.721030348218 0.27896965178212 6 0.36 1.6 -3 37.2513256059 34 0.9 52 0.8 484.2637814 4693.759783 0 0 0 0 "Unambiguous" +56592.505276 483.2971756 "C26H44O8" "O8" "CHO" 26 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.30445205216 483.29634192984 1.72137620549395 1.72 483 482.757521656149 0.24247834385136 5 0.307692307692308 1.69230769230769 -3 37.2541244909231 34 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +44343.280217 483.3335781 "C27H48O7" "O7" "CHO" 27 48 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.34085455216 483.33272743514 1.75633513470831 1.76 483 482.793883508792 0.206116491208036 4 0.259259259259259 1.77777777777778 -3 37.2569233759462 34 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +14959.588733 483.3701833 "C28H52O6" "O6" "CHO" 28 52 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 484.37745975216 483.36911294044 2.20976335387514 2.21 483 482.830447835099 0.169552164901404 3 0.214285714285714 1.85714285714286 -3 37.2597222609692 34 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +45117.432052 485.0578876 "C19H18O15" "O15" "CHO" 19 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.06516405216 485.05729345654 1.22235351137146 1.22 485 484.5162676294 0.483732370600023 11 0.789473684210526 0.947368421052632 -4 37.3895823006692 34 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +264895.566576 485.073721 "C23H18O12" "O12" "CHO" 23 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.08099745216 485.07254958964 2.40990774412048 2.41 485 484.532083349684 0.467916650315942 15 0.521739130434783 0.782608695652174 3 37.3907558493692 35 0.9 48 0.4 486.0770143 11695.870456 0 0 0 0 "Unambiguous" +302781.466558 485.0944703 "C20H22O14" "O14" "CHO" 20 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.10174675216 485.09367896184 1.62792700367238 1.63 485 484.55280948083 0.447190519169681 10 0.7 1.1 -4 37.3923811856923 34 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +361420.663229 485.1099679 "C24H22O11" "O11" "CHO" 24 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.11724435216 485.10893509494 2.12460074611345 2.12 485 484.568289776072 0.431710223928235 14 0.458333333333333 0.916666666666667 3 37.3935547343923 35 0.9 50 0.4 486.11326 53980.429335 0 0 0 0 "Unambiguous" +350511.205987 485.1306674 "C21H26O13" "O13" "CHO" 21 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.13794385216 485.13006446714 1.24025056591746 1.24 485 484.588966162825 0.411033837174898 9 0.619047619047619 1.23809523809524 -4 37.3951800707154 34 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +280928.57756 485.146446 "C25H26O10" "O10" "CHO" 25 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.15372245216 485.14532060024 2.3149051587335 2.31 485 484.604727144299 0.395272855700568 13 0.4 1.04 3 37.3963536194154 35 0.9 52 0.5 486.1496217 43360.78345 0 0 0 0 "Unambiguous" +312110.422082 485.167077 "C22H30O12" "O12" "CHO" 22 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.17435345216 485.16644997244 1.28971747599668 1.29 485 484.62533510754 0.374664892459521 8 0.545454545454545 1.36363636363636 -4 37.3979789557385 34 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +211176.120935 485.1829032 "C26H30O9" "O9" "CHO" 26 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.19017965216 485.18170610554 2.46219382886971 2.46 485 484.641143635864 0.358856364135818 12 0.346153846153846 1.15384615384615 3 37.3991525044385 35 0.9 54 0.6 486.1861686 25627.735317 0 0 0 0 "Unambiguous" +268967.359371 485.2035202 "C23H34O11" "O11" "CHO" 23 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.21079665216 485.20283547774 1.40828271345123 1.41 485 484.661737614738 0.338262385262226 7 0.478260869565217 1.47826086956522 -4 37.4007778407615 34 0.9 48 0.7 486.2063946 9992.619015 0 0 0 0 "Unambiguous" +107581.020163 485.2190925 "C27H34O8" "O8" "CHO" 27 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.22636895216 485.21809161084 2.0584839158871 2.06 485 484.677292526568 0.322707473431535 11 0.296296296296296 1.25925925925926 3 37.4019513894615 35 0.9 56 0.6 486.2230708 8581.002662 0 0 0 0 "Unambiguous" +168971.724613 485.2401298 "C24H38O10" "O10" "CHO" 24 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.24740625216 485.23922098304 1.86904227822717 1.87 485 484.698306336131 0.301693663868662 6 0.416666666666667 1.58333333333333 -4 37.4035767257846 34 0.9 50 0.8 486.2431578 6265.764082 0 0 0 0 "Unambiguous" +27543.287725 485.2554904 "C28H38O7" "O7" "CHO" 28 38 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.26276685216 485.25447711614 2.08381955000144 2.08 485 484.713649784348 0.286350215651851 10 0.25 1.35714285714286 3 37.4047502744846 35 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +52342.066664 485.2748947 "C25H42O9" "O9" "CHO" 25 42 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.28217115216 485.27560648834 -1.4637352183479 1.46 485 484.733032417333 0.266967582666553 5 0.36 1.68 -4 37.4063756108077 34 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +50751.725469 485.3128512 "C26H46O8" "O8" "CHO" 26 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.32012765216 485.31199199364 1.76675056442155 1.77 485 484.770946534766 0.229053465233505 4 0.307692307692308 1.76923076923077 -4 37.4091744958308 34 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +2692.739806 485.3476004 "C27H50O7" "O7" "CHO" 27 50 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 486.35487685216 485.34837749894 -1.5978022982045 1.6 485 484.805656933499 0.194343066500721 3 0.259259259259259 1.85185185185185 -4 37.4119733808538 34 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +97618.725932 487.0526037 "C22H16O13" "O13" "CHO" 22 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.05988015216 487.05181414814 1.61773563474064 1.62 487 486.508756411583 0.491243588417262 15 0.590909090909091 0.727272727272727 2 37.5430069692538 35 0.9 46 0.3 488.0559251 3000.545653 0 0 0 0 "Unambiguous" +107851.221099 487.0737289 "C19H20O15" "O15" "CHO" 19 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.08100535216 487.07294352034 1.60911744438982 1.61 487 486.529858022996 0.470141977004289 10 0.789473684210526 1.05263157894737 -5 37.5446323055769 34 0.9 40 0.5 0 0 0 0 0 0 "Unambiguous" +374476.369219 487.089064 "C23H20O12" "O12" "CHO" 23 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.09634045216 487.08819965344 1.77085236733839 1.77 487 486.545175999686 0.454824000313977 14 0.521739130434783 0.869565217391304 2 37.5458058542769 35 0.9 48 0.4 488.0925081 32230.53444 0 0 0 0 "Unambiguous" +276050.022427 487.1102064 "C20H24O14" "O14" "CHO" 20 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.11748285216 487.10932902564 1.79746555036789 1.8 487 486.566294791893 0.433705208106687 9 0.7 1.2 -5 37.5474311906 34 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +386241.323137 487.1255134 "C24H24O11" "O11" "CHO" 24 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.13278985216 487.12458515874 1.90161628002868 1.9 487 486.58158469996 0.418415300039612 13 0.458333333333333 1 2 37.5486047393 35 0.9 50 0.5 488.1292718 74651.543084 0 0 0 0 "Unambiguous" +270042.961391 487.146359 "C21H28O13" "O13" "CHO" 21 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.15363545216 487.14571453094 1.32021767990672 1.32 487 486.602407023577 0.3975929764228 8 0.619047619047619 1.33333333333333 -5 37.5502300756231 34 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +324375.557766 487.16201 "C25H28O10" "O10" "CHO" 25 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.16928645216 487.16097066404 2.12904823982675 2.13 487 486.618040547531 0.381959452469232 12 0.4 1.12 2 37.5514036243231 35 0.9 52 0.5 488.1654896 39910.731375 0 0 0 0 "Unambiguous" +243733.465748 487.1829285 "C22H32O12" "O12" "CHO" 22 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.19020495216 487.18210003624 1.69701020555988 1.7 487 486.638935689747 0.361064310253198 7 0.545454545454545 1.45454545454545 -5 37.5530289606462 34 0.9 46 0.7 488.186317 2637.267538 0 0 0 0 "Unambiguous" +236949.223712 487.1979696 "C26H32O9" "O9" "CHO" 26 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.20524605216 487.19735616934 1.25650157390441 1.26 487 486.65395999472 0.346040005279804 11 0.346153846153846 1.23076923076923 2 37.5542025093462 35 0.9 54 0.6 488.2011492 29481.049119 0 0 0 0 "Unambiguous" +168402.363046 487.2191581 "C23H36O11" "O11" "CHO" 23 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.22643455216 487.21848554154 1.377554373249 1.38 487 486.675124835452 0.324875164548189 6 0.478260869565217 1.56521739130435 -5 37.5558278456692 34 0.9 48 0.8 488.2225069 2712.84439 0 0 0 0 "Unambiguous" +134775.966724 487.2346621 "C27H36O8" "O8" "CHO" 27 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.24193855216 487.23374167464 1.88518291305066 1.89 487 486.690611523547 0.309388476453137 10 0.296296296296296 1.33333333333333 2 37.5570013943692 35 0.9 56 0.6 488.2385543 4344.8332 0 0 0 0 "Unambiguous" +76287.582058 487.2553704 "C24H40O10" "O10" "CHO" 24 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.26264685216 487.25487104684 1.02271423637015 1.02 487 486.711296700474 0.288703299525935 5 0.416666666666667 1.66666666666667 -5 37.5586267306923 34 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +12910.20947 487.2708584 "C28H40O7" "O7" "CHO" 28 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.27813485216 487.27012717994 1.49754823698061 1.5 487 486.726767406435 0.273232593565069 9 0.25 1.42857142857143 2 37.5598002793923 35 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +32650.000968 487.2915052 "C25H44O9" "O9" "CHO" 25 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.29878165216 487.29125655214 0.509212534132669 0.51 487 486.747391152034 0.252608847966371 4 0.36 1.76 -5 37.5614256157154 34 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +7644.392749 487.306844 "C29H44O6" "O6" "CHO" 29 44 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 488.31412045216 487.30651268524 0.678486953608723 0.68 487 486.762712824592 0.237287175407516 8 0.206896551724138 1.51724137931034 2 37.5625991644154 35 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +7647.740639 489.0323513 "C21H14O14" "O14" "CHO" 21 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.03962775216 489.03107870664 2.59691928567863 2.6 489 488.486293407726 0.51370659227365 15 0.666666666666667 0.666666666666667 1 37.6952580891385 35 0.9 44 0.3 0 0 0 0 0 0 "Unambiguous" +2454.880302 489.0523586 "C18H18O16" "O16" "CHO" 18 18 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.05963505216 489.05220807884 0.307148659614501 0.31 489 488.506278367396 0.493721632603581 10 0.888888888888889 1 -6 37.6968834254615 34 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +220941.83843 489.0685988 "C22H18O13" "O13" "CHO" 22 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.07587525216 489.06746421194 2.31512734524303 2.32 489 488.522500433444 0.477499566555991 14 0.590909090909091 0.818181818181818 1 37.6980569741615 35 0.9 46 0.4 490.0723269 23275.881523 0 0 0 0 "Unambiguous" +156784.158089 489.0891833 "C19H22O15" "O15" "CHO" 19 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.09645975216 489.08859358414 1.20326488448571 1.2 489 488.543061948607 0.456938051392569 9 0.789473684210526 1.15789473684211 -6 37.6996823104846 34 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +473471.033107 489.1046654 "C23H22O12" "O12" "CHO" 23 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.11194185216 489.10384971724 1.66427848484854 1.66 489 488.558526761156 0.441473238843741 13 0.521739130434783 0.956521739130435 1 37.7008558591846 35 0.9 48 0.5 490.1081675 57957.844245 0 0 0 0 "Unambiguous" +210104.341461 489.1254776 "C20H26O14" "O14" "CHO" 20 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.13275405216 489.12497908944 1.01709293227159 1.02 489 488.579315722068 0.420684277932196 8 0.7 1.3 -6 37.7024811955077 34 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +400385.158246 489.1410354 "C24H26O11" "O11" "CHO" 24 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.14831185216 489.14023522254 1.63252109750985 1.63 489 488.594856150089 0.405143849910644 12 0.458333333333333 1.08333333333333 1 37.7036547442077 35 0.9 50 0.5 490.1443454 93120.264274 0 0 0 0 "Unambiguous" +184156.611588 489.1620338 "C21H30O13" "O13" "CHO" 21 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.16931025216 489.16136459474 1.36525328292354 1.37 489 488.615831103088 0.38416889691166 7 0.619047619047619 1.42857142857143 -6 37.7052800805308 34 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +352567.244477 489.1775415 "C25H30O10" "O10" "CHO" 25 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.18481795216 489.17662072784 1.87841835622965 1.88 489 488.631321487052 0.368678512948009 11 0.4 1.2 1 37.7064536292308 35 0.9 52 0.6 490.1811047 52261.506249 0 0 0 0 "Unambiguous" +121240.907081 489.1982841 "C22H34O12" "O12" "CHO" 22 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.20556055216 489.19775010004 1.08933884674169 1.09 489 488.65204092568 0.347959074320499 6 0.545454545454545 1.54545454545455 -6 37.7080789655538 34 0.9 46 0.7 490.2011562 4846.857025 0 0 0 0 "Unambiguous" +242550.481918 489.2140278 "C26H34O9" "O9" "CHO" 26 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.22130425216 489.21300623314 2.08388915606677 2.08 489 488.667767046123 0.332232953876598 10 0.346153846153846 1.30769230769231 1 37.7092525142538 35 0.9 54 0.6 490.2175725 14629.911573 0 0 0 0 "Unambiguous" +44091.650073 489.2347344 "C23H38O11" "O11" "CHO" 23 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.24201085216 489.23413560534 1.22142665609617 1.22 489 488.688450524949 0.311549475051152 5 0.478260869565217 1.65217391304348 -6 37.7108778505769 34 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +105210.190766 489.2506479 "C27H38O8" "O8" "CHO" 27 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.25792435216 489.24939173844 2.56224631481326 2.56 489 488.704346255793 0.295653744207414 9 0.296296296296296 1.40740740740741 1 37.7120513992769 35 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +7256.434816 489.271305 "C24H42O10" "O10" "CHO" 24 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.27858145216 489.27052111064 1.59886519560915 1.6 489 488.72498028989 0.275019710109802 4 0.416666666666667 1.75 -6 37.7136767356 34 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +19761.835825 489.28701 "C28H42O7" "O7" "CHO" 28 42 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.29428645216 489.28577724374 2.51431904083159 2.51 489 488.740667753547 0.259332246453084 8 0.25 1.5 1 37.7148502843 35 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +3465.674501 489.3229151 "C29H46O6" "O6" "CHO" 29 46 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 490.33019155216 489.32216274904 1.53437616724671 1.53 489 488.776532761591 0.223467238408546 7 0.206896551724138 1.58620689655172 1 37.7176491693231 35 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +45401.688439 491.0481562 "C21H16O14" "O14" "CHO" 21 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.05543265216 491.04672877044 2.90095274887966 2.9 491 490.499847441967 0.500152558033392 14 0.666666666666667 0.761904761904762 0 37.8503080940462 35 0.9 44 0.4 0 0 0 0 0 0 "Unambiguous" +17399.348151 491.0690312 "C18H20O16" "O16" "CHO" 18 20 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.07630765216 491.06785814264 2.3838931923919 2.38 491 490.520699132755 0.479300867244888 9 0.888888888888889 1.11111111111111 -7 37.8519334303692 34 0.9 38 0.5 0 0 0 0 0 0 "Unambiguous" +366771.720271 491.0843624 "C22H20O13" "O13" "CHO" 22 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.09163885216 491.08311427574 2.53636550884034 2.54 491 490.5360132138 0.463986786199769 13 0.590909090909091 0.909090909090909 0 37.8531069790692 35 0.9 46 0.4 492.0876338 22627.439984 0 0 0 0 "Unambiguous" +133224.430109 491.1047973 "C19H24O15" "O15" "CHO" 19 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.11207375216 491.10424364794 1.12505278676911 1.13 491 490.556425296008 0.443574703991658 8 0.789473684210526 1.26315789473684 -7 37.8547323153923 34 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +503183.029156 491.1202897 "C23H24O12" "O12" "CHO" 23 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.12756615216 491.11949978104 1.60511016729707 1.61 491 490.571900397056 0.42809960294386 12 0.521739130434783 1.04347826086957 0 37.8559058640923 35 0.9 48 0.5 492.1237885 73068.861366 0 0 0 0 "Unambiguous" +9961.307132 491.1360789 "C27H24O9" "O9" "CHO" 27 24 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.14335535216 491.13475591414 2.68821237876718 2.69 491 490.587671966694 0.412328033305698 16 0.333333333333333 0.888888888888889 7 37.8570794127923 36 1 56 0.4 0 0 0 0 0 0 "Unambiguous" +129327.577756 491.1411856 "C20H28O14" "O14" "CHO" 20 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.14846205216 491.14062915324 1.13064817411993 1.13 491 490.592772964508 0.407227035492497 7 0.7 1.4 -7 37.8575312004154 34 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +465665.080212 491.1567337 "C24H28O11" "O11" "CHO" 24 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.16401015216 491.15588528634 1.72384335818256 1.72 491 490.60830370336 0.39169629663985 11 0.458333333333333 1.16666666666667 0 37.8587047491154 35 0.9 50 0.6 492.1603628 77386.488889 0 0 0 0 "Unambiguous" +72108.508042 491.1774563 "C21H32O13" "O13" "CHO" 21 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.18473275216 491.17701465854 0.897308328873263 0.9 491 490.62900316432 0.370996835680103 6 0.619047619047619 1.52380952380952 -7 37.8603300854385 34 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +329375.784804 491.1929973 "C25H32O10" "O10" "CHO" 25 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.20027375216 491.19227079164 1.4760421697145 1.48 491 490.6445268111 0.355473188899566 10 0.4 1.28 0 37.8615036341385 35 0.9 52 0.6 492.1965388 58614.452226 0 0 0 0 "Unambiguous" +12013.309335 491.2134899 "C22H36O12" "O12" "CHO" 22 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.22076635216 491.21340016384 0.182308764999862 0.18 491 490.66499652888 0.335003471119819 5 0.545454545454545 1.63636363636364 -7 37.8631289704615 34 0.9 46 0.8 0 0 0 0 0 0 "Unambiguous" +194859.007537 491.2292381 "C26H36O9" "O9" "CHO" 26 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.23651455216 491.22865629694 1.18195835297722 1.18 491 490.680727144299 0.31927285570066 9 0.346153846153846 1.38461538461538 0 37.8643025191615 35 0.9 54 0.7 492.2328485 20237.573291 0 0 0 0 "Unambiguous" +10043.024547 491.3026665 "C28H44O7" "O7" "CHO" 28 44 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 492.30994295216 491.30142730754 2.51709817713648 2.52 491 490.754073553492 0.245926446508065 7 0.25 1.57142857142857 0 37.8699002892077 35 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +3435.592995 493.0418155 "C24H14O12" "O12" "CHO" 24 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.04909195216 493.04124946204 1.14571197314366 1.15 493 492.491280604182 0.508719395818275 18 0.5 0.583333333333333 6 38.0037327626308 36 0.9 50 0.3 0 0 0 0 0 0 "Unambiguous" +174282.055409 493.0635854 "C21H18O14" "O14" "CHO" 21 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.07086185216 493.06237883424 2.44209050396438 2.44 493 492.513026195717 0.486973804283082 13 0.666666666666667 0.857142857142857 -1 38.0053580989538 35 0.9 44 0.4 494.0668891 5335.977034 0 0 0 0 "Unambiguous" +49762.790355 493.078668 "C25H18O11" "O11" "CHO" 25 18 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.08594445216 493.07763496734 2.09079548126739 2.09 493 492.528091954351 0.471908045649002 17 0.44 0.72 6 38.0065316476538 36 0.9 52 0.3 0 0 0 0 0 0 "Unambiguous" +16444.468566 493.0836961 "C18H22O16" "O16" "CHO" 18 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.09097255216 493.08350820644 0.380281305334555 0.38 493 492.53311443993 0.466885560070352 8 0.888888888888889 1.22222222222222 -8 38.0069834352769 34 0.9 38 0.6 0 0 0 0 0 0 "Unambiguous" +471541.607935 493.0995231 "C22H22O13" "O13" "CHO" 22 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.10679955216 493.09876433954 1.53562035721433 1.54 493 492.54892376736 0.451076232639991 12 0.590909090909091 1 -1 38.0081569839769 35 0.9 46 0.5 494.1032872 57168.479521 495.1053638 2441.775522 0 0 "Unambiguous" +101942.462436 493.1153241 "C26H22O10" "O10" "CHO" 26 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.12260055216 493.11402047264 2.63826701838073 2.64 493 492.564707123822 0.435292876177698 16 0.384615384615385 0.846153846153846 6 38.0093305326769 36 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +63603.450694 493.1204024 "C19H26O15" "O15" "CHO" 19 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.12767885216 493.11989371174 1.02946724448127 1.03 493 492.569779753347 0.43022024665288 7 0.789473684210526 1.36842105263158 -8 38.0097823203 34 0.9 40 0.7 0 0 0 0 0 0 "Unambiguous" +497306.697198 493.1358602 "C23H26O12" "O12" "CHO" 23 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.14313665216 493.13514984484 1.43754938051731 1.44 493 492.58522029303 0.414779706970421 11 0.521739130434783 1.1304347826087 -1 38.010955869 35 0.9 48 0.5 494.1396455 65728.62963 0 0 0 0 "Unambiguous" +6357.58769 493.1568455 "C20H30O14" "O14" "CHO" 20 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.16412195216 493.15627921704 1.14594106447928 1.15 493 492.606182160656 0.39381783934391 6 0.7 1.5 -8 38.0125812053231 34 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +421093.076152 493.1724651 "C24H30O11" "O11" "CHO" 24 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.17974155216 493.17153535014 1.88140019072015 1.88 493 492.621784319671 0.378215680328765 10 0.458333333333333 1.25 -1 38.0137547540231 35 0.9 50 0.6 494.1755264 40393.633069 0 0 0 0 "Unambiguous" +299742.188673 493.2088083 "C25H34O10" "O10" "CHO" 25 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.21608475216 493.20792085544 1.7956610223772 1.8 493 492.658086938529 0.341913061470621 9 0.4 1.36 -1 38.0165536390462 35 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +4528.449313 493.2235644 "C29H34O7" "O7" "CHO" 29 34 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.23084085216 493.22317698854 0.783867431924474 0.78 493 492.672826561736 0.327173438263685 13 0.241379310344828 1.17241379310345 6 38.0177271877462 36 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +144443.974856 493.2452466 "C26H38O9" "O9" "CHO" 26 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.25252305216 493.24430636074 1.90234589837453 1.9 493 492.694484551198 0.305515448801941 8 0.346153846153846 1.46153846153846 -1 38.0193525240692 35 0.9 54 0.7 494.2485327 6353.109489 0 0 0 0 "Unambiguous" +40170.607948 493.28202 "C27H42O8" "O8" "CHO" 27 42 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.28929645216 493.28069186604 2.68695674682821 2.69 493 492.731216889691 0.268783110308846 7 0.296296296296296 1.55555555555556 -1 38.0221514090923 35 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +2665.271377 493.3177055 "C28H46O7" "O7" "CHO" 28 46 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 494.32498195216 493.31707737134 1.27067957914048 1.27 493 492.766862542943 0.233137457056955 6 0.25 1.64285714285714 -1 38.0249502941154 35 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +4116.978456 495.042479 "C20H16O15" "O15" "CHO" 20 16 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.04975545216 495.04164339274 1.68452307619665 1.68 495 494.489710145445 0.510289854555481 13 0.75 0.8 -2 38.1576092188385 35 0.9 42 0.4 0 0 0 0 0 0 "Unambiguous" +50403.114032 495.0579153 "C24H16O12" "O12" "CHO" 24 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.06519175216 495.05689952584 2.0476626397063 2.05 495 494.505129209134 0.494870790865946 17 0.5 0.666666666666667 5 38.1587827675385 36 0.9 50 0.3 0 0 0 0 0 0 "Unambiguous" +279252.084839 495.0791959 "C21H20O14" "O14" "CHO" 21 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.08647235216 495.07802889804 2.35241641340094 2.35 495 494.526386047026 0.473613952974006 12 0.666666666666667 0.952380952380952 -2 38.1604081038615 35 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +137306.867603 495.0941184 "C25H20O11" "O11" "CHO" 25 20 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.10139485216 495.09328503114 1.67983575265488 1.68 495 494.541291884429 0.458708115570801 16 0.44 0.8 5 38.1615816525615 36 0.9 52 0.4 496.0971464 22578.560524 0 0 0 0 "Unambiguous" +465623.101333 495.1151866 "C22H24O13" "O13" "CHO" 22 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.12246305216 495.11441440334 1.55646381192327 1.56 495 494.562336559489 0.43766344051113 11 0.590909090909091 1.09090909090909 -2 38.1632069888846 35 0.9 46 0.5 496.1187631 43788.893629 497.1211818 7422.556342 0 0 "Unambiguous" +156238.326629 495.1310475 "C26H24O10" "O10" "CHO" 26 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.13832395216 495.12967053644 2.77536221962644 2.78 495 494.578179749066 0.421820250933763 15 0.384615384615385 0.923076923076923 5 38.1643805375846 36 0.9 54 0.4 496.1339515 9309.609867 0 0 0 0 "Unambiguous" +414716.453548 495.1514994 "C23H28O12" "O12" "CHO" 23 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.15877585216 495.15079990864 1.40981353955809 1.41 495 494.598608812292 0.4013911877081 10 0.521739130434783 1.21739130434783 -2 38.1660058739077 35 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +99606.750629 495.1673938 "C27H28O9" "O9" "CHO" 27 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.17467025216 495.16605604174 2.69614379822273 2.7 495 494.614485464463 0.385514535537084 14 0.333333333333333 1.03703703703704 5 38.1671794226077 36 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +349205.952833 495.1879116 "C24H32O11" "O11" "CHO" 24 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.19518805216 495.18718541394 1.46350887215542 1.46 495 494.634980354104 0.36501964589587 9 0.458333333333333 1.33333333333333 -2 38.1688047589308 35 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +69655.263476 495.2037893 "C28H32O8" "O8" "CHO" 28 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.21106575216 495.20244154704 2.71608807825327 2.72 495 494.650840324922 0.349159675077544 13 0.285714285714286 1.14285714285714 5 38.1699783076308 36 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +243660.617203 495.2245033 "C25H36O10" "O10" "CHO" 25 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.23177975216 495.22357091924 1.8789219032158 1.88 495 494.671531195485 0.328468804515012 8 0.4 1.44 -2 38.1716036439538 35 0.9 52 0.7 496.2278076 23157.485712 0 0 0 0 "Unambiguous" +3016.101392 495.2374328 "C29H36O7" "O7" "CHO" 29 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.24470925216 495.23882705234 -2.80960645814481 2.81 495 494.68444625829 0.315553741710175 12 0.241379310344828 1.24137931034483 5 38.1727771926538 36 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +3770.502286 495.240116 "C29H36O7" "O7" "CHO" 29 36 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.24739245216 495.23882705234 2.59738928536086 2.6 495 494.687126462205 0.312873537795269 12 0.241379310344828 1.24137931034483 5 38.1727771926538 36 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +89089.75093 495.2606236 "C26H40O9" "O9" "CHO" 26 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.26790005216 495.25995642454 1.34438568341093 1.34 495 494.707611163235 0.292388836764644 7 0.346153846153846 1.53846153846154 -2 38.1744025289769 35 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +32416.797208 495.2975493 "C27H44O8" "O8" "CHO" 27 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.30482575216 495.29634192984 2.43271896089071 2.43 495 494.744495631669 0.255504368331117 6 0.296296296296296 1.62962962962963 -2 38.177201414 35 0.9 56 0.8 496.3011052 2536.302083 0 0 0 0 "Unambiguous" +3308.356508 495.3338266 "C28H48O7" "O7" "CHO" 28 48 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.34110305216 495.33272743514 2.21453523245076 2.21 495 494.780732424112 0.219267575888409 5 0.25 1.71428571428571 -2 38.1800002990231 35 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +7413.438566 495.3699452 "C29H52O6" "O6" "CHO" 29 52 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 496.37722165216 495.36911294044 1.67666750952693 1.68 495 494.81681069376 0.183189306239797 4 0.206896551724138 1.79310344827586 -2 38.1827991840462 35 0.9 60 0.9 0 0 0 0 0 0 "Unambiguous" +2343.105757 497.037632 "C23H14O13" "O13" "CHO" 23 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.04490845216 497.03616408434 2.94735602166653 2.95 497 496.482635339781 0.517364660219187 17 0.565217391304348 0.608695652173913 4 38.3110338874231 36 0.9 48 0.3 0 0 0 0 0 0 "Unambiguous" +58174.166337 497.0581502 "C20H18O15" "O15" "CHO" 20 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.06542665216 497.05729345654 1.72014240333499 1.72 497 496.503130628975 0.496869371024559 12 0.75 0.9 -3 38.3126592237462 35 0.9 42 0.4 0 0 0 0 0 0 "Unambiguous" +166595.067931 497.0736433 "C24H18O12" "O12" "CHO" 24 18 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.08091975216 497.07254958964 2.195848740022 2.2 497 496.518606429242 0.481393570758428 16 0.5 0.75 4 38.3138327724461 36 0.9 50 0.4 498.0772402 11789.525745 0 0 0 0 "Unambiguous" +337639.570569 497.0943123 "C21H22O14" "O14" "CHO" 21 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.10158875216 497.09367896184 1.27150399511432 1.27 497 496.539252350052 0.460747649948473 11 0.666666666666667 1.04761904761905 -3 38.3154581087692 35 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +240137.138316 497.1099126 "C25H22O11" "O11" "CHO" 25 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.11718905216 497.10893509494 1.96239977557686 1.96 497 496.554835230617 0.44516476938287 15 0.44 0.88 4 38.3166316574692 36 0.9 52 0.4 498.1134584 21413.496154 0 0 0 0 "Unambiguous" +386004.171356 497.1307803 "C22H26O13" "O13" "CHO" 22 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.13805675216 497.13006446714 1.43701700825082 1.44 497 496.575679629557 0.424320370443013 10 0.590909090909091 1.18181818181818 -3 38.3182569937923 35 0.9 46 0.6 498.1350925 13872.019028 0 0 0 0 "Unambiguous" +232545.091114 497.1465935 "C26H26O10" "O10" "CHO" 26 26 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.15386995216 497.14532060024 2.55523410895694 2.56 497 496.591475172397 0.408524827603458 14 0.384615384615385 1 4 38.3194305424923 36 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +327750.488856 497.1670931 "C23H30O12" "O12" "CHO" 23 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.17436955216 497.16644997244 1.2909687838595 1.29 497 496.61195188236 0.388048117639983 9 0.521739130434783 1.30434782608696 -3 38.3210558788154 35 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +165720.579529 497.1831993 "C27H30O9" "O9" "CHO" 27 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.19047575216 497.18170610554 2.99723606268531 3 497 496.628040098033 0.371959901966761 13 0.333333333333333 1.11111111111111 4 38.3222294275154 36 0.9 56 0.5 498.1863428 13734.404346 0 0 0 0 "Unambiguous" +286938.415324 497.2033567 "C24H34O11" "O11" "CHO" 24 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.21063315216 497.20283547774 1.04618855016981 1.05 497 496.6481749901 0.351825009899699 8 0.458333333333333 1.41666666666667 -3 38.3238547638385 35 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +177168.957789 497.2401388 "C25H38O10" "O10" "CHO" 25 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.24741525216 497.23922098304 1.84209076033682 1.84 497 496.684916018879 0.31508398112112 7 0.4 1.52 -3 38.3266536488615 35 0.9 52 0.7 498.2431923 13564.479948 0 0 0 0 "Unambiguous" +85173.709577 497.276181 "C26H42O9" "O9" "CHO" 26 42 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.28345745216 497.27560648834 1.15298160402788 1.15 497 496.720917973836 0.279082026163621 6 0.346153846153846 1.61538461538462 -3 38.3294525338846 35 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +20697.120142 497.3131572 "C27H46O8" "O8" "CHO" 27 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.32043365216 497.31199199364 2.33826727000873 2.34 497 496.757852885881 0.242147114118893 5 0.296296296296296 1.7037037037037 -3 38.3322514189077 35 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +9698.834421 497.3494084 "C28H50O7" "O7" "CHO" 28 50 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 498.35668485216 497.34837749894 2.06860084633565 2.07 497 496.794063607467 0.205936392532635 4 0.25 1.78571428571429 -3 38.3350503039308 35 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +60565.334853 499.0531403 "C23H16O13" "O13" "CHO" 23 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.06041675216 499.05181414814 2.6519832715374 2.65 499 498.495893105207 0.504106894792642 16 0.565217391304348 0.695652173913043 3 38.4660838923308 36 0.9 48 0.3 500.0565204 2909.429615 0 0 0 0 "Unambiguous" +158169.60656 499.0739511 "C20H20O15" "O15" "CHO" 20 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.08122755216 499.07294352034 2.01483200022431 2.01 499 498.516680667682 0.483319332317819 11 0.75 1 -4 38.4677092286538 35 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +278075.283685 499.0893071 "C24H20O12" "O12" "CHO" 24 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.09658355216 499.08819965344 2.2144653580518 2.21 499 498.532019521035 0.467980478964648 15 0.5 0.833333333333333 3 38.4688827773538 36 0.9 50 0.4 500.0925803 46785.186151 0 0 0 0 "Unambiguous" +293996.604876 499.1099957 "C21H24O14" "O14" "CHO" 21 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.11727215216 499.10932902564 1.33303606396533 1.33 499 498.55268501996 0.447314980040176 10 0.666666666666667 1.14285714285714 -4 38.4705081136769 35 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +335929.857173 499.1256457 "C25H24O11" "O11" "CHO" 25 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.13292215216 499.12458515874 2.12051879219107 2.12 499 498.56831754503 0.431682454969973 14 0.44 0.96 3 38.4716816623769 36 0.9 52 0.5 500.1293746 31937.083678 0 0 0 0 "Unambiguous" +319633.658329 499.1464747 "C22H28O13" "O13" "CHO" 22 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.15375115216 499.14571453094 1.51987075627101 1.52 499 498.589123287183 0.410876712817469 9 0.590909090909091 1.27272727272727 -4 38.4733069987 35 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +252589.830178 499.1619445 "C26H28O10" "O10" "CHO" 26 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.16922095216 499.16097066404 1.94701296932951 1.95 499 498.604575813466 0.395424186534342 13 0.384615384615385 1.07692307692308 3 38.4744805474 36 0.9 54 0.5 500.1661069 25995.315325 0 0 0 0 "Unambiguous" +293993.793678 499.1828305 "C23H32O12" "O12" "CHO" 23 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.19010695216 499.18210003624 1.46037226631534 1.46 499 498.625438491971 0.374561508028535 8 0.521739130434783 1.39130434782609 -4 38.4761058837231 35 0.9 48 0.7 500.1861998 15429.733764 0 0 0 0 "Unambiguous" +159155.266312 499.1985586 "C27H32O9" "O9" "CHO" 27 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.20583505216 499.19735616934 2.40387171796664 2.4 499 498.641149029834 0.35885097016552 12 0.333333333333333 1.18518518518519 3 38.4772794324231 36 0.9 56 0.6 500.2018506 14511.458713 0 0 0 0 "Unambiguous" +223553.733668 499.2193962 "C24H36O11" "O11" "CHO" 24 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.22667265216 499.21848554154 1.82049160876386 1.82 499 498.661963362384 0.338036637615801 7 0.458333333333333 1.5 -4 38.4789047687461 35 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +102862.109601 499.2350538 "C28H36O8" "O8" "CHO" 28 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.24233025216 499.23374167464 2.62297946548169 2.62 499 498.677603478968 0.322396521031862 11 0.285714285714286 1.28571428571429 3 38.4800783174462 36 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +115639.60272 499.255482 "C25H40O10" "O10" "CHO" 25 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.26275845216 499.25487104684 1.2212645248312 1.22 499 498.698008868657 0.301991131342504 6 0.4 1.6 -4 38.4817036537692 35 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +13951.623274 499.2712959 "C29H40O7" "O7" "CHO" 29 40 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.27857235216 499.27012717994 2.33613855273574 2.34 499 498.713805110715 0.286194889284502 10 0.241379310344828 1.37931034482759 3 38.4828772024692 36 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +61797.443871 499.2921673 "C26H44O9" "O9" "CHO" 26 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.29944375216 499.29125655214 1.82040550192919 1.82 499 498.734653205524 0.265346794476159 5 0.346153846153846 1.69230769230769 -4 38.4845025387923 35 0.9 54 0.8 500.2956974 2251.595851 0 0 0 0 "Unambiguous" +24803.700193 499.3281695 "C27H48O8" "O8" "CHO" 27 48 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.33544595216 499.32764205744 1.05417788056431 1.05 499 498.770615205146 0.229384794854354 4 0.296296296296296 1.77777777777778 -4 38.4873014238154 35 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +2970.747936 499.3652641 "C28H52O7" "O7" "CHO" 28 52 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 500.37254055216 499.36402756274 2.47123325082632 2.47 499 498.807668384984 0.192331615016087 3 0.25 1.85714285714286 -4 38.4901003088385 35 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +14063.814566 501.0532303 "C19H18O16" "O16" "CHO" 19 18 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.06050675216 501.05220807884 2.0360517234365 2.04 501 500.493749786845 0.506250213154601 11 0.842105263157895 0.947368421052632 -5 38.6199603485385 35 0.9 40 0.4 0 0 0 0 0 0 "Unambiguous" +183111.006849 501.0686211 "C23H18O13" "O13" "CHO" 23 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.07589755216 501.06746421194 2.30420951421008 2.3 501 500.509123401341 0.490876598659383 15 0.565217391304348 0.782608695652174 2 38.6211338972385 36 0.9 48 0.4 502.0724742 8136.086099 0 0 0 0 "Unambiguous" +187599.729866 501.0893788 "C20H22O15" "O15" "CHO" 20 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.09665525216 501.08859358414 1.56387391119782 1.56 501 500.529857923107 0.470142076892614 10 0.75 1.1 -5 38.6227592335615 35 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +389615.936433 501.1048957 "C24H22O12" "O12" "CHO" 24 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.11217215216 501.10384971724 2.08316551161652 2.08 501 500.545357496798 0.454642503201796 14 0.5 0.916666666666667 2 38.6239327822615 36 0.9 50 0.4 502.1085262 46662.498076 0 0 0 0 "Unambiguous" +290443.317766 501.1257405 "C21H26O14" "O14" "CHO" 21 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.13301695216 501.12497908944 1.51635230966982 1.52 501 500.566179021308 0.433820978691699 9 0.666666666666667 1.23809523809524 -5 38.6255581185846 35 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +371521.268323 501.1412513 "C25H26O11" "O11" "CHO" 25 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.14852775216 501.14023522254 2.02346000008505 2.02 501 500.58167250181 0.418327498189512 13 0.44 1.04 2 38.6267316672846 36 0.9 52 0.5 502.1446754 74855.659924 0 0 0 0 "Unambiguous" +233834.126171 501.1618825 "C22H30O13" "O13" "CHO" 22 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.16915895216 501.16136459474 1.03133625542343 1.03 501 500.602280664828 0.397719335171814 8 0.590909090909091 1.36363636363636 -5 38.6283570036077 35 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +304519.322662 501.1778491 "C26H30O10" "O10" "CHO" 26 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.18512555216 501.17662072784 2.44605444779134 2.45 501 500.61822943638 0.381770563619966 12 0.384615384615385 1.15384615384615 2 38.6295305523077 36 0.9 54 0.6 502.1811629 36686.357646 0 0 0 0 "Unambiguous" +222697.935352 501.1987569 "C23H34O12" "O12" "CHO" 23 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.20603335216 501.19775010004 2.00475480796702 2 501 500.639113890544 0.36088610945626 7 0.521739130434783 1.47826086956522 -5 38.6311558886308 35 0.9 48 0.7 502.2020256 2393.598197 0 0 0 0 "Unambiguous" +143397.055677 501.2353824 "C24H38O11" "O11" "CHO" 24 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.24265885216 501.23413560534 2.48245472189657 2.48 501 500.675698494183 0.32430150581672 6 0.458333333333333 1.58333333333333 -5 38.6339547736538 35 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +65330.81857 501.2502564 "C28H38O8" "O8" "CHO" 28 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.25753285216 501.24939173844 1.72155020770179 1.72 501 500.690555885742 0.309444114257985 10 0.285714285714286 1.35714285714286 2 38.6351283223539 36 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +71344.750856 501.2712343 "C25H42O10" "O10" "CHO" 25 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.27851075216 501.27052111064 1.41990816805565 1.42 501 500.711510361631 0.28848963836856 5 0.4 1.68 -5 38.6367536586769 35 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +6796.908297 501.2860313 "C29H42O7" "O7" "CHO" 29 42 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.29330775216 501.28577724374 0.50579264365632 0.51 501 500.726290839169 0.273709160830947 9 0.241379310344828 1.44827586206897 2 38.6379272073769 36 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +10583.843147 501.3072007 "C26H46O9" "O9" "CHO" 26 46 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 502.31447715216 501.30690661594 0.585458061475329 0.59 501 500.747436601228 0.252563398772111 4 0.346153846153846 1.76923076923077 -5 38.6395525437 35 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +45255.375204 503.0482058 "C22H16O14" "O14" "CHO" 22 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.05548225216 503.04672877044 2.93029162854288 2.93 503 502.48649767938 0.513502320620205 15 0.636363636363636 0.727272727272727 1 38.7733850171231 36 0.9 46 0.3 0 0 0 0 0 0 "Unambiguous" +36679.102704 503.0690221 "C19H20O16" "O16" "CHO" 19 20 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.07629855216 503.06785814264 2.30908964236715 2.31 503 502.507290735713 0.492709264286759 10 0.842105263157895 1.05263157894737 -6 38.7750103534462 35 0.9 40 0.5 0 0 0 0 0 0 "Unambiguous" +312365.520939 503.0842079 "C23H20O13" "O13" "CHO" 23 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.09148435216 503.08311427574 2.16949560540154 2.17 503 502.522459579113 0.477540420886669 14 0.565217391304348 0.869565217391304 1 38.7761839021462 36 0.9 48 0.4 504.0876755 37461.256873 0 0 0 0 "Unambiguous" +173498.546919 503.1053045 "C20H24O15" "O15" "CHO" 20 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.11258095216 503.10424364794 2.10439512933668 2.1 503 502.543532622461 0.456467377538729 9 0.75 1.2 -6 38.7778092384692 35 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +428836.955276 503.1206381 "C24H24O12" "O12" "CHO" 24 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.12791455216 503.11949978104 2.25799628861327 2.26 503 502.558849100827 0.441150899173465 13 0.5 1 1 38.7789827871692 36 0.9 50 0.5 504.1242496 59864.925951 0 0 0 0 "Unambiguous" +164165.160211 503.1411618 "C21H28O14" "O14" "CHO" 21 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.14843825216 503.14062915324 1.05652764076899 1.06 503 502.57934988388 0.420650116120214 8 0.666666666666667 1.33333333333333 -6 38.7806081234923 35 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +370900.307271 503.1569097 "C25H28O11" "O11" "CHO" 25 28 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.16418615216 503.15588528634 2.03190485993487 2.03 503 502.595080199634 0.404919800366031 12 0.44 1.12 1 38.7817816721923 36 0.9 52 0.5 504.1609652 73528.767295 0 0 0 0 "Unambiguous" +160902.494606 503.1774617 "C22H32O13" "O13" "CHO" 22 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.18473815216 503.17701465854 0.88666202321953 0.89 503 502.615609251087 0.384390748912892 7 0.590909090909091 1.45454545454545 -6 38.7834070085154 35 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +293971.579259 503.1932142 "C26H32O10" "O10" "CHO" 26 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.20049065216 503.19227079164 1.87109766351284 1.87 503 502.631344161705 0.368655838295069 11 0.384615384615385 1.23076923076923 1 38.7845805572154 36 0.9 54 0.6 504.1971806 55529.965701 0 0 0 0 "Unambiguous" +88095.410474 503.2142668 "C23H36O12" "O12" "CHO" 23 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.22154325216 503.21340016384 1.7187606749933 1.72 503 502.652373254184 0.347626745816285 6 0.521739130434783 1.56521739130435 -6 38.7862058935385 35 0.9 48 0.8 504.2178363 2089.213382 0 0 0 0 "Unambiguous" +174519.552912 503.2297233 "C27H36O9" "O9" "CHO" 27 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.23699975216 503.22865629694 2.11607450574619 2.12 503 502.667812495318 0.332187504682281 10 0.333333333333333 1.33333333333333 1 38.7873794422385 36 0.9 56 0.6 504.2331415 12642.417132 0 0 0 0 "Unambiguous" +35791.022678 503.2505409 "C24H40O11" "O11" "CHO" 24 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.25781735216 503.24978566914 1.49770778751897 1.5 503 502.6886068502 0.311393149800438 5 0.458333333333333 1.66666666666667 -6 38.7890047785615 35 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +63948.947077 503.2663328 "C28H40O8" "O8" "CHO" 28 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.27360925216 503.26504180224 2.56011366897935 2.56 503 502.704381116823 0.295618883177042 9 0.285714285714286 1.42857142857143 1 38.7901783272615 36 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +25456.611023 503.3025507 "C29H44O7" "O7" "CHO" 29 44 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 504.30982715216 503.30142730754 2.22758391668001 2.23 503 502.740558575592 0.259441424407783 8 0.241379310344828 1.51724137931034 1 38.7929772122846 36 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +141599.28708 505.0636837 "C22H18O14" "O14" "CHO" 22 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.07096015216 505.06237883424 2.57842449527806 2.58 505 504.499725078751 0.500274921248774 14 0.636363636363636 0.818181818181818 0 38.9284350220308 36 0.9 46 0.4 0 0 0 0 0 0 "Unambiguous" +32885.543938 505.0839645 "C19H22O16" "O16" "CHO" 19 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.09124095216 505.08350820644 0.9016033534179 0.9 505 504.519983233029 0.480016766971232 9 0.842105263157895 1.15789473684211 -7 38.9300603583538 35 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +414057.76939 505.0996682 "C23H22O13" "O13" "CHO" 23 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.10694465216 505.09876433954 1.78590803698412 1.79 505 504.535669398137 0.464330601862969 13 0.565217391304348 0.956521739130435 0 38.9312339070538 36 0.9 48 0.5 506.103198 23997.943619 0 0 0 0 "Unambiguous" +13056.74452 505.1152756 "C27H22O10" "O10" "CHO" 27 22 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.12255205216 505.11402047264 2.47988823061315 2.48 505 504.551259370775 0.448740629225199 17 0.37037037037037 0.814814814814815 7 38.9324074557538 37 1 56 0.4 0 0 0 0 0 0 "Unambiguous" +154974.821515 505.1208201 "C20H26O15" "O15" "CHO" 20 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.12809655216 505.11989371174 1.83034347686812 1.83 505 504.556797679737 0.443202320263424 8 0.75 1.3 -7 38.9328592433769 35 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +429915.989631 505.136095 "C24H26O12" "O12" "CHO" 24 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.14337145216 505.13514984484 1.86736646823303 1.87 505 504.572055523647 0.427944476353218 12 0.5 1.08333333333333 0 38.9340327920769 36 0.9 50 0.5 506.1396764 63052.597242 0 0 0 0 "Unambiguous" +83452.80314 505.1566226 "C21H30O14" "O14" "CHO" 21 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.16389905216 505.15627921704 0.6784027082876 0.68 505 504.592560202345 0.407439797654774 7 0.666666666666667 1.42857142857143 -7 38.9356581284 35 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +366553.754853 505.1723479 "C25H30O11" "O11" "CHO" 25 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.17962435216 505.17153535014 1.60525991343968 1.61 505 504.608267943335 0.391732056665262 11 0.44 1.2 0 38.9368316771 36 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +24630.810853 505.1930099 "C22H34O13" "O13" "CHO" 22 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.20028635216 505.19266472234 0.68189937718525 0.68 505 504.628906871961 0.371093128039035 6 0.590909090909091 1.54545454545455 -7 38.9384570134231 35 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +297155.997898 505.2089182 "C26H34O10" "O10" "CHO" 26 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.21619465216 505.20792085544 1.97019489024346 1.97 505 504.644797408611 0.355202591388888 10 0.384615384615385 1.30769230769231 0 38.9396305621231 36 0.9 54 0.6 506.2122407 26275.577381 0 0 0 0 "Unambiguous" +4646.236463 505.2289336 "C23H38O12" "O12" "CHO" 23 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.23621005216 505.22905022764 -0.230381860559603 0.23 505 504.664790459237 0.335209540763401 5 0.521739130434783 1.65217391304348 -7 38.9412558984462 35 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +35549.159442 505.2821758 "C28H42O8" "O8" "CHO" 28 42 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 506.28945225216 505.28069186604 2.93099916145188 2.93 505 504.71797320852 0.282026791479552 8 0.285714285714286 1.5 0 38.9452283321692 36 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +12372.858795 507.0430197 "C21H16O15" "O15" "CHO" 21 16 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.05029615216 507.04164339274 2.70899804687134 2.71 507 506.476850934491 0.52314906550896 14 0.714285714285714 0.761904761904762 -1 39.0806861419154 36 0.9 44 0.4 0 0 0 0 0 0 "Unambiguous" +14977.705649 507.0578984 "C25H16O12" "O12" "CHO" 25 16 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.06517485216 507.05689952584 1.96603548020953 1.97 507 506.491713020802 0.50828697919826 18 0.48 0.64 6 39.0818596906154 37 0.9 52 0.3 0 0 0 0 0 0 "Unambiguous" +277078.11866 507.0792435 "C22H20O14" "O14" "CHO" 22 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.08651995216 507.07802889804 2.39054159547079 2.39 507 506.513034286672 0.486965713327606 13 0.636363636363636 0.909090909090909 -1 39.0834850269385 36 0.9 46 0.4 508.0822317 8288.077558 0 0 0 0 "Unambiguous" +30710.326129 507.0998369 "C19H24O16" "O16" "CHO" 19 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.10711335216 507.09915827024 1.33560373829145 1.34 507 506.533604691898 0.466395308102051 8 0.842105263157895 1.26315789473684 -8 39.0851103632615 35 0.9 40 0.6 0 0 0 0 0 0 "Unambiguous" +440501.241296 507.1153918 "C23H24O13" "O13" "CHO" 23 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.12266825216 507.11441440334 1.92354468925214 1.92 507 506.549142223158 0.450857776842327 12 0.565217391304348 1.04347826086957 -1 39.0862839119615 36 0.9 48 0.5 508.1193484 28593.287509 509.1215493 2959.731559 0 0 "Unambiguous" +43389.131863 507.1309933 "C27H24O10" "O10" "CHO" 27 24 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.13826975216 507.12967053644 2.60315673650885 2.6 507 506.564726302383 0.435273697616594 16 0.37037037037037 0.888888888888889 6 39.0874574606615 37 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +34044.894646 507.1362931 "C20H28O15" "O15" "CHO" 20 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.14356955216 507.13554377554 1.47463139337403 1.47 507 506.570020184579 0.429979815420666 7 0.75 1.4 -8 39.0879092482846 35 0.9 42 0.7 0 0 0 0 0 0 "Unambiguous" +428911.28582 507.151974 "C24H28O12" "O12" "CHO" 24 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.15925045216 507.15079990864 2.31047916364887 2.31 507 506.585683575146 0.414316424853666 11 0.5 1.16666666666667 -1 39.0890827969846 36 0.9 50 0.6 508.1550373 47406.101925 0 0 0 0 "Unambiguous" +9779.461436 507.1721973 "C21H32O14" "O14" "CHO" 21 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.17947375216 507.17192928084 0.52741044027296 0.53 507 506.605884293629 0.39411570637111 6 0.666666666666667 1.52380952380952 -8 39.0907081333077 35 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +352769.430701 507.1883409 "C25H32O11" "O11" "CHO" 25 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.19561735216 507.18718541394 2.27370331539473 2.27 507 506.622009867541 0.377990132459104 10 0.44 1.28 -1 39.0918816820077 36 0.9 52 0.6 508.1917545 55574.412411 0 0 0 0 "Unambiguous" +15714.532071 507.2037016 "C29H32O8" "O8" "CHO" 29 32 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.21097805216 507.20244154704 2.47938949453958 2.48 507 506.637353415646 0.362646584353968 14 0.275862068965517 1.10344827586207 6 39.0930552307077 37 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +268415.152374 507.224707 "C26H36O10" "O10" "CHO" 26 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.23198345216 507.22357091924 2.23535864935939 2.24 507 506.658335360829 0.341664639171199 9 0.384615384615385 1.38461538461538 -1 39.0946805670308 36 0.9 54 0.7 508.2278066 16459.698117 0 0 0 0 "Unambiguous" +105566.004526 507.2610396 "C27H40O9" "O9" "CHO" 27 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.26831605216 507.25995642454 2.13110954546515 2.13 507 506.694627391523 0.305372608477001 8 0.333333333333333 1.48148148148148 -1 39.0974794520538 36 0.9 56 0.7 508.2648369 4236.506634 0 0 0 0 "Unambiguous" +18746.315449 507.2968431 "C28H44O8" "O8" "CHO" 28 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 508.30411955216 507.29634192984 0.98596517456077 0.99 507 506.730390913015 0.269609086984929 7 0.285714285714286 1.57142857142857 -1 39.1002783370769 36 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +7345.316395 509.036234 "C24H14O13" "O13" "CHO" 24 14 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.04351045216 509.03616408434 0.137077834654081 0.14 509 508.467839593597 0.532160406402909 18 0.541666666666667 0.583333333333333 5 39.2341108105 37 0.9 50 0.3 0 0 0 0 0 0 "Unambiguous" +63368.413322 509.0583393 "C21H18O15" "O15" "CHO" 21 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.06561575216 509.05729345654 2.05040964872202 2.05 509 508.489920210622 0.510079789378324 13 0.714285714285714 0.857142857142857 -2 39.2357361468231 36 0.9 44 0.4 0 0 0 0 0 0 "Unambiguous" +312292.723514 509.0945234 "C22H22O14" "O14" "CHO" 22 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.10179985216 509.09367896184 1.65543066171743 1.66 509 508.526063907132 0.473936092867632 12 0.636363636363636 1 -2 39.2385350318461 36 0.9 46 0.5 510.0981636 14622.604471 511.1006175 5180.032517 0 0 "Unambiguous" +63207.342791 509.107502 "C26H22O11" "O11" "CHO" 26 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.11477845216 509.10893509494 -2.80935781610457 2.81 509 508.539028015112 0.460971984888317 16 0.423076923076923 0.846153846153846 5 39.2397085805462 37 0.9 54 0.4 510.11169 18198.652798 0 0 0 0 "Unambiguous" +394563.158235 509.1309763 "C23H26O13" "O13" "CHO" 23 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.13825275216 509.13006446714 1.78742302709214 1.79 509 508.562476103499 0.437523896501432 11 0.565217391304348 1.1304347826087 -2 39.2413339168692 36 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +388694.636822 509.1673684 "C24H30O12" "O12" "CHO" 24 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.17464485216 509.16644997244 1.80022188338132 1.8 509 508.598827567755 0.401172432245403 10 0.5 1.25 -2 39.2441328018923 36 0.9 50 0.6 510.1708489 53401.025354 0 0 0 0 "Unambiguous" +83110.862796 509.1831522 "C28H30O9" "O9" "CHO" 28 30 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.19042865216 509.18170610554 2.83442099024391 2.83 509 508.614593743423 0.385406256577483 14 0.321428571428571 1.07142857142857 5 39.2453063505923 37 0.9 58 0.5 510.1857803 8177.17517 0 0 0 0 "Unambiguous" +303029.993519 509.2038412 "C25H34O11" "O11" "CHO" 25 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.21111765216 509.20283547774 1.97118844573984 1.97 509 508.6352596419 0.364740358099709 9 0.44 1.36 -2 39.2469316869154 36 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +24995.283679 509.2190134 "C29H34O8" "O8" "CHO" 29 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.22628985216 509.21809161084 1.8066281144426 1.81 509 508.650414900486 0.349585099513774 13 0.275862068965517 1.17241379310345 5 39.2481052356154 37 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +203219.43224 509.2403963 "C26H38O10" "O10" "CHO" 26 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.24767275216 509.23922098304 2.30342444020071 2.3 509 508.671773924149 0.328226075850978 8 0.384615384615385 1.46153846153846 -2 39.2497305719385 36 0.9 54 0.7 510.2435444 8549.800754 0 0 0 0 "Unambiguous" +67837.930135 509.2770175 "C27H42O9" "O9" "CHO" 27 42 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.28429395216 509.27560648834 2.76514812771659 2.77 509 508.70835423259 0.291645767410046 7 0.333333333333333 1.55555555555556 -2 39.2525294569615 36 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +13277.805274 509.3126631 "C28H46O8" "O8" "CHO" 28 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 510.31993955216 509.31199199364 1.31506983757166 1.32 509 508.743960030395 0.256039969605411 6 0.285714285714286 1.64285714285714 -2 39.2553283419846 36 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +15952.72007 511.0529605 "C24H16O13" "O13" "CHO" 24 16 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.06023695216 511.05181414814 2.23870509230055 2.24 511 510.482314198771 0.517685801229391 17 0.541666666666667 0.666666666666667 4 39.3891608154077 37 0.9 50 0.3 0 0 0 0 0 0 "Unambiguous" +142497.805199 511.0741928 "C21H20O15" "O15" "CHO" 21 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.08146925216 511.07294352034 2.43961114588205 2.44 511 510.503522790595 0.496477209405214 12 0.714285714285714 0.952380952380952 -3 39.3907861517308 36 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +360937.999918 511.1102136 "C22H24O14" "O14" "CHO" 22 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.11749005216 511.10932902564 1.72728793143365 1.73 511 510.539503369448 0.460496630552313 11 0.636363636363636 1.09090909090909 -3 39.3935850367538 36 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +216381.189662 511.1259066 "C26H24O11" "O11" "CHO" 26 24 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.13318305216 511.12458515874 2.58026877344525 2.58 511 510.555178846504 0.444821153496264 15 0.423076923076923 0.923076923076923 4 39.3947585854538 37 0.9 54 0.4 512.1289862 38884.648861 0 0 0 0 "Unambiguous" +334979.367961 511.1463688 "C23H28O13" "O13" "CHO" 23 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.15364525216 511.14571453094 1.27748589928715 1.28 511 510.575618198228 0.424381801771631 10 0.565217391304348 1.21739130434783 -3 39.3963839217769 36 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +284060.493646 511.1829118 "C24H32O12" "O12" "CHO" 24 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.19018825216 511.18210003624 1.58488736943956 1.58 511 510.612120393988 0.387879606011893 9 0.5 1.33333333333333 -3 39.3991828068 36 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +135420.327175 511.1988756 "C28H32O9" "O9" "CHO" 28 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.20615205216 511.19735616934 2.96644359699402 2.97 511 510.628066368666 0.371933631333548 13 0.321428571428571 1.14285714285714 4 39.4003563555 37 0.9 58 0.6 512.2026004 13521.555363 0 0 0 0 "Unambiguous" +247024.890042 511.2198471 "C25H36O11" "O11" "CHO" 25 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.22712355216 511.21848554154 2.65811472581467 2.66 511 510.649014451702 0.350985548297842 8 0.44 1.44 -3 39.4019816918231 36 0.9 52 0.7 512.223179 15217.74888 0 0 0 0 "Unambiguous" +24830.23471 511.2350313 "C29H36O8" "O8" "CHO" 29 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.24230775216 511.23374167464 2.51760805493032 2.52 511 510.664181696889 0.335818303111182 12 0.275862068965517 1.24137931034483 4 39.4031552405231 37 0.9 60 0.6 512.2378498 2490.786717 0 0 0 0 "Unambiguous" +146178.609838 511.2560267 "C26H40O10" "O10" "CHO" 26 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.26330315216 511.25487104684 2.25597491156425 2.26 511 510.685153653238 0.314846346762408 7 0.384615384615385 1.53846153846154 -3 39.4047805768462 36 0.9 54 0.7 512.2586864 2282.121864 0 0 0 0 "Unambiguous" +43769.240577 511.2919794 "C27H44O9" "O9" "CHO" 27 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.29925585216 511.29125655214 1.41098752692613 1.41 511 510.721066208132 0.278933791868383 6 0.333333333333333 1.62962962962963 -3 39.4075794618692 36 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +12741.703433 511.328442 "C28H48O8" "O8" "CHO" 28 48 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.33571845216 511.32764205744 1.56136402590847 1.56 511 510.757488093667 0.242511906333334 5 0.285714285714286 1.71428571428571 -3 39.4103783468923 36 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +2292.501685 511.4014207 "C30H56O6" "O6" "CHO" 30 56 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 512.40869715216 511.40041306804 1.96646147046027 1.97 511 510.830385304998 0.169614695001655 3 0.2 1.86666666666667 -3 39.4159761169385 36 0.9 62 0.9 0 0 0 0 0 0 "Unambiguous" +12125.15427 513.0536491 "C20H18O16" "O16" "CHO" 20 18 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.06092555216 513.05220807884 2.80321084223303 2.8 513 512.480768812007 0.519231187993455 12 0.8 0.9 -4 39.5430372716154 36 0.9 42 0.4 0 0 0 0 0 0 "Unambiguous" +197884.447204 513.0892162 "C21H22O15" "O15" "CHO" 21 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.09649265216 513.08859358414 1.2110875466713 1.21 513 512.516296197465 0.483703802535047 11 0.714285714285714 1.04761904761905 -4 39.5458361566385 36 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +236069.764991 513.1048839 "C25H22O12" "O12" "CHO" 25 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.11216035216 513.10384971724 2.01158976535443 2.01 513 512.531946402771 0.468053597228845 15 0.48 0.88 3 39.5470097053385 37 0.9 52 0.4 514.1087876 34278.933135 0 0 0 0 "Unambiguous" +289165.126547 513.1258092 "C22H26O14" "O14" "CHO" 22 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.13308565216 513.12497908944 1.61458303934374 1.61 513 512.552848337394 0.447151662605734 10 0.636363636363636 1.18181818181818 -4 39.5486350416615 36 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +306796.043319 513.1624002 "C23H30O13" "O13" "CHO" 23 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.16967665216 513.16136459474 2.01413134028986 2.01 513 512.589398479557 0.410601520443265 9 0.565217391304348 1.30434782608696 -4 39.5514339266846 36 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +222992.238444 513.1779015 "C27H30O10" "O10" "CHO" 27 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.18517795216 513.17662072784 2.49087724588072 2.49 513 512.604882470667 0.395117529333334 13 0.37037037037037 1.11111111111111 3 39.5526074753846 37 0.9 56 0.5 514.1814262 35082.660192 0 0 0 0 "Unambiguous" +267995.043921 513.1985937 "C24H34O12" "O12" "CHO" 24 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.20587015216 513.19775010004 1.64058796075552 1.64 513 512.625551565571 0.3744484344287 8 0.5 1.41666666666667 -4 39.5542328117077 36 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +177226.525188 513.2349966 "C25H38O11" "O11" "CHO" 25 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.24227305216 513.23413560534 1.67429770992035 1.67 513 512.661913817768 0.338086182232018 7 0.44 1.52 -4 39.5570316967308 36 0.9 52 0.7 514.2383144 5425.418078 0 0 0 0 "Unambiguous" +49434.328203 513.2504136 "C29H38O8" "O8" "CHO" 29 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.25769005216 513.24939173844 1.98706131150759 1.99 513 512.677313603008 0.322686396991912 11 0.275862068965517 1.31034482758621 3 39.5582052454308 37 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +96385.226403 513.2718735 "C26H42O10" "O10" "CHO" 26 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.27914995216 513.27052111064 2.62967954300315 2.63 513 512.698749540692 0.301250459307994 6 0.384615384615385 1.61538461538462 -4 39.5598305817538 36 0.9 54 0.8 514.2752858 2430.564131 0 0 0 0 "Unambiguous" +15705.871976 513.344382 "C28H50O8" "O8" "CHO" 28 50 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.35165845216 513.34329212124 2.11893699981921 2.12 513 512.771177077053 0.228822922946847 4 0.285714285714286 1.78571428571429 -4 39.5654283518 36 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +2217.288755 513.3783771 "C29H54O7" "O7" "CHO" 29 54 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 514.38565355216 513.37967762654 -2.52831028831042 2.53 513 512.805134217821 0.194865782179249 3 0.241379310344828 1.86206896551724 -4 39.5682272368231 36 0.9 60 0.9 0 0 0 0 0 0 "Unambiguous" +19980.225342 515.0686201 "C20H20O16" "O16" "CHO" 20 20 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.07589655216 515.06785814264 1.47644438547097 1.48 515 514.493489877387 0.506510122613008 11 0.8 1 -5 39.6980872765231 36 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +232012.879226 515.0843522 "C24H20O13" "O13" "CHO" 24 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.09162865216 515.08311427574 2.39865208274471 2.4 515 514.509204410784 0.490795589216305 15 0.541666666666667 0.833333333333333 2 39.6992608252231 37 0.9 50 0.4 516.0877676 21693.264905 0 0 0 0 "Unambiguous" +195280.252986 515.1050978 "C21H24O15" "O15" "CHO" 21 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.11237425216 515.10424364794 1.65497303012485 1.65 515 514.529926846061 0.470073153938756 10 0.714285714285714 1.14285714285714 -5 39.7008861615462 36 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +340168.511414 515.1208227 "C25H24O12" "O12" "CHO" 25 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.12809915216 515.11949978104 2.56316011891786 2.56 515 514.545634187498 0.454365812502488 14 0.48 0.96 2 39.7020597102462 37 0.9 52 0.5 516.1240802 40509.299312 0 0 0 0 "Unambiguous" +242890.590023 515.1416494 "C22H28O14" "O14" "CHO" 22 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.14892585216 515.14062915324 1.97665190984342 1.98 515 514.566437632218 0.433562367781747 9 0.636363636363636 1.27272727272727 -5 39.7036850465692 36 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +218994.973855 515.178369 "C23H32O13" "O13" "CHO" 23 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.18564545216 515.17701465854 2.62374878482807 2.62 515 514.603116230785 0.396883769215151 8 0.565217391304348 1.39130434782609 -5 39.7064839315923 36 0.9 48 0.7 516.1807175 2489.928523 0 0 0 0 "Unambiguous" +223106.324992 515.1934375 "C27H32O10" "O10" "CHO" 27 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.20071395216 515.19227079164 2.26018354571395 2.26 515 514.618167905163 0.381832094836909 12 0.37037037037037 1.18518518518519 2 39.7076574802923 37 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +172037.325841 515.2142088 "C24H36O12" "O12" "CHO" 24 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.22148525216 515.21340016384 1.56645196521411 1.57 515 514.638916011744 0.361083988255928 7 0.5 1.5 -5 39.7092828166154 36 0.9 50 0.7 516.2178294 3096.216632 0 0 0 0 "Unambiguous" +129931.700391 515.229825 "C28H36O9" "O9" "CHO" 28 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.23710145216 515.22865629694 2.26388815684671 2.26 515 514.654514774556 0.345485225444463 11 0.321428571428571 1.28571428571429 2 39.7104563653154 37 0.9 58 0.6 516.2336718 10090.906506 0 0 0 0 "Unambiguous" +116860.599385 515.250931 "C25H40O11" "O11" "CHO" 25 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.25820745216 515.24978566914 2.21852329608299 2.22 515 514.675597207407 0.324402792592537 6 0.44 1.6 -5 39.7120817016385 36 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +70755.948467 515.2665192 "C29H40O8" "O8" "CHO" 29 40 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.27379565216 515.26504180224 2.86165552533447 2.86 515 514.691168001484 0.308831998515984 10 0.275862068965517 1.37931034482759 2 39.7132552503385 37 0.9 60 0.7 516.2693138 5013.351059 0 0 0 0 "Unambiguous" +34592.351647 515.2873531 "C26H44O10" "O10" "CHO" 26 44 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.29462955216 515.28617117444 2.28924627981415 2.29 515 514.711978638165 0.288021361834808 5 0.384615384615385 1.69230769230769 -5 39.7148805866615 36 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +11487.216244 515.3240277 "C27H48O9" "O9" "CHO" 27 48 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 516.33130415216 515.32255667974 2.84898523143177 2.85 515 514.748612286979 0.25138771302079 4 0.333333333333333 1.77777777777778 -5 39.7176794716846 36 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +124760.57156 517.0639075 "C23H18O14" "O14" "CHO" 23 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.07118395216 517.06237883424 2.9506867152085 2.95 517 516.486549321651 0.513450678348818 15 0.608695652173913 0.782608695652174 1 39.8515119451077 37 0.9 48 0.4 518.0671185 4231.768502 0 0 0 0 "Unambiguous" +77326.486494 517.0844261 "C20H22O16" "O16" "CHO" 20 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.09170255216 517.08350820644 1.77168164525789 1.77 517 516.507045010399 0.492954989601003 10 0.8 1.1 -6 39.8531372814308 36 0.9 42 0.5 0 0 0 0 0 0 "Unambiguous" +351888.593728 517.0999865 "C24H22O13" "O13" "CHO" 24 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.10726295216 517.09876433954 2.35889466789298 2.36 517 516.522588035517 0.477411964482599 14 0.541666666666667 0.916666666666667 1 39.8543108301308 37 0.9 50 0.4 518.1036852 34469.422939 0 0 0 0 "Unambiguous" +169427.381714 517.1207331 "C21H26O15" "O15" "CHO" 21 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.12800955216 517.11989371174 1.62004030771964 1.62 517 516.543311469679 0.456688530321458 9 0.714285714285714 1.23809523809524 -6 39.8559361664538 36 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +370139.091602 517.1363792 "C25H26O12" "O12" "CHO" 25 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.14365565216 517.13514984484 2.37261451821517 2.37 517 516.558940099103 0.441059900896562 13 0.48 1.04 1 39.8571097151538 37 0.9 52 0.5 518.1399077 40381.084371 0 0 0 0 "Unambiguous" +163204.716008 517.1570519 "C22H30O14" "O14" "CHO" 22 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.16432835216 517.15627921704 1.49119288561604 1.49 517 516.579589715782 0.420410284217951 8 0.636363636363636 1.36363636363636 -6 39.8587350514769 36 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +322569.502974 517.172684 "C26H30O11" "O11" "CHO" 26 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.17996045216 517.17153535014 2.21670065924616 2.22 517 516.595204360839 0.404795639160511 12 0.423076923076923 1.15384615384615 1 39.8599086001769 37 0.9 54 0.6 518.1761222 63592.844376 0 0 0 0 "Unambiguous" +131411.006958 517.1936782 "C23H34O13" "O13" "CHO" 23 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.20095465216 517.19266472234 1.9557618542933 1.96 517 516.616175118528 0.38382488147181 7 0.565217391304348 1.47826086956522 -6 39.8615339365 36 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +270769.767172 517.2090849 "C27H34O10" "O10" "CHO" 27 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.21636135216 517.20792085544 2.24625204227543 2.25 517 516.631564615269 0.368435384730674 11 0.37037037037037 1.25925925925926 1 39.8627074852 37 0.9 56 0.6 518.2127067 31592.527807 0 0 0 0 "Unambiguous" +90931.266453 517.2298912 "C24H38O12" "O12" "CHO" 24 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.23716765216 517.22905022764 1.62275578158156 1.62 517 516.652347682769 0.347652317231109 6 0.5 1.58333333333333 -6 39.8643328215231 36 0.9 50 0.8 518.233704 2281.267078 0 0 0 0 "Unambiguous" +131247.615476 517.245345 "C28H38O9" "O9" "CHO" 28 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.25262145216 517.24430636074 2.00411771608434 2 517 516.667784226918 0.332215773082225 10 0.321428571428571 1.35714285714286 1 39.8655063702231 37 0.9 58 0.7 518.2489423 3620.788831 0 0 0 0 "Unambiguous" +10943.399642 517.2656238 "C25H42O11" "O11" "CHO" 25 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.27290025216 517.26543573294 0.362872648538657 0.36 517 516.688040383428 0.311959616571585 5 0.44 1.68 -6 39.8671317065462 36 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +2981.53328 517.3028134 "C26H46O10" "O10" "CHO" 26 46 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.31008985216 517.30182123824 1.91422428276232 1.91 517 516.725188457189 0.274811542811108 4 0.384615384615385 1.76923076923077 -6 39.8699305915692 36 0.9 54 0.9 0 0 0 0 0 0 "Unambiguous" +6045.327831 517.3179548 "C30H46O7" "O7" "CHO" 30 46 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 518.32523125216 517.31707737134 1.69281487207008 1.69 517 516.740312950166 0.259687049833587 8 0.233333333333333 1.53333333333333 1 39.8711041402692 37 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +45229.171201 519.099922 "C20H24O16" "O16" "CHO" 20 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.10719845216 519.09915827024 1.46840836330836 1.47 519 518.520290389671 0.479709610328541 9 0.8 1.2 -7 40.0081872863385 36 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +401361.931267 519.115468 "C24H24O13" "O13" "CHO" 24 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.12274445216 519.11441440334 2.02566926982128 2.03 519 518.535819030869 0.464180969131007 13 0.541666666666667 1 0 40.0093608350385 37 0.9 50 0.5 520.1192601 62400.012741 0 0 0 0 "Unambiguous" +119503.796132 519.1364954 "C21H28O15" "O15" "CHO" 21 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.14377185216 519.13554377554 1.82954119890643 1.83 519 518.556822951486 0.443177048513689 8 0.714285714285714 1.33333333333333 -7 40.0109861713615 36 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +363248.531118 519.1519057 "C25H28O12" "O12" "CHO" 25 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.15918215216 519.15079990864 2.12587107557596 2.13 519 518.572216044208 0.427783955792279 12 0.48 1.12 0 40.0121597200615 37 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +2318.113079 519.1649468 "C29H28O9" "O9" "CHO" 29 28 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.17222325216 519.16605604174 -2.13245092759319 2.13 519 518.585242582399 0.414757417600981 16 0.310344827586207 0.96551724137931 7 40.0133332687615 38 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +78191.132045 519.1731561 "C22H32O14" "O14" "CHO" 22 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.18043255216 519.17192928084 2.35844926731493 2.36 519 518.593442715821 0.406557284178803 7 0.636363636363636 1.45454545454545 -7 40.0137850563846 36 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +366276.943384 519.188231 "C26H32O11" "O11" "CHO" 26 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.19550745216 519.18718541394 2.00998671646763 2.01 519 518.608500783053 0.391499216946841 11 0.423076923076923 1.23076923076923 0 40.0149586050846 37 0.9 54 0.6 520.1916007 40301.822607 0 0 0 0 "Unambiguous" +68985.944441 519.2090902 "C23H36O13" "O13" "CHO" 23 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.21636665216 519.20831478614 1.49056029313252 1.49 519 518.629336691484 0.370663308515873 6 0.565217391304348 1.56521739130435 -7 40.0165839414077 36 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +202936.609649 519.2245757 "C27H36O10" "O10" "CHO" 27 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.23185215216 519.22357091924 1.93140953568373 1.93 519 518.644804900236 0.355195099763591 10 0.37037037037037 1.33333333333333 0 40.0177574901077 37 0.9 56 0.6 520.2284232 26558.1132 0 0 0 0 "Unambiguous" +2882.256976 519.2444687 "C24H40O12" "O12" "CHO" 24 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.25174515216 519.24470029144 -0.445152644325958 0.45 519 518.664675687535 0.335324312465104 5 0.5 1.66666666666667 -7 40.0193828264308 36 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +136591.274359 519.2614885 "C28H40O9" "O9" "CHO" 28 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 520.26876495216 519.25995642454 2.9447769368163 2.94 519 518.681676483074 0.318323516925716 9 0.321428571428571 1.42857142857143 0 40.0205563751308 37 0.9 58 0.7 520.2645369 3013.709216 0 0 0 0 "Unambiguous" +63108.589926 521.0584289 "C22H18O15" "O15" "CHO" 22 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.06570535216 521.05729345654 2.17490528185058 2.17 521 520.476610403371 0.523389596629499 14 0.681818181818182 0.818181818181818 -1 40.1588130699 37 0.9 46 0.4 0 0 0 0 0 0 "Unambiguous" +300181.34184 521.094684 "C23H22O14" "O14" "CHO" 23 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.10196045216 521.09367896184 1.92498445939042 1.92 521 520.512825020602 0.487174979397992 13 0.608695652173913 0.956521739130435 -1 40.1616119549231 37 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +48972.65749 521.1081812 "C27H22O11" "O11" "CHO" 27 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.11545765216 521.10893509494 -1.44392380828181 1.44 521 520.526307149508 0.473692850492171 17 0.407407407407407 0.814814814814815 6 40.1627855036231 38 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +35111.040471 521.1156687 "C20H26O16" "O16" "CHO" 20 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.12294515216 521.11480833404 1.64782254439137 1.65 521 520.533786288898 0.466213711101545 8 0.8 1.3 -8 40.1632372912462 36 0.9 42 0.6 0 0 0 0 0 0 "Unambiguous" +393015.643557 521.1311952 "C24H26O13" "O13" "CHO" 24 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.13847165216 521.13006446714 2.16558043777496 2.17 521 520.54929545187 0.450704548130147 12 0.541666666666667 1.08333333333333 -1 40.1644108399462 37 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +27362.419808 521.1518317 "C21H30O15" "O15" "CHO" 21 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.15910815216 521.15119383934 1.22158294299704 1.22 521 520.56990890897 0.430091091030363 7 0.714285714285714 1.42857142857143 -8 40.1660361762692 36 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +375460.29316 521.167473 "C25H30O12" "O12" "CHO" 25 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.17474945216 521.16644997244 1.959167043348 1.96 521 520.585532743754 0.414467256245757 11 0.48 1.2 -1 40.1672097249692 37 0.9 52 0.6 522.170947 51357.025376 0 0 0 0 "Unambiguous" +310990.144754 521.2040743 "C26H34O11" "O11" "CHO" 26 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.21135075216 521.20283547774 2.37226222337427 2.37 521 520.622093174416 0.377906825584319 10 0.423076923076923 1.30769230769231 -1 40.1700086099923 37 0.9 54 0.6 522.2077278 49545.075693 0 0 0 0 "Unambiguous" +2881.524983 521.2165635 "C30H34O8" "O8" "CHO" 30 34 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.22383995216 521.21809161084 -2.92616062903817 2.93 521 520.634568428863 0.365431571136583 14 0.266666666666667 1.13333333333333 6 40.1711821586923 38 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +188427.02356 521.2403721 "C27H38O10" "O10" "CHO" 27 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.24764855216 521.23922098304 2.20415920133468 2.2 521 520.658350443968 0.341649556032053 9 0.37037037037037 1.40740740740741 -1 40.1728074950154 37 0.9 56 0.7 522.2441866 5917.44752 0 0 0 0 "Unambiguous" +70189.017733 521.2770024 "C28H42O9" "O9" "CHO" 28 42 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 522.28427885216 521.27560648834 2.67270472519559 2.67 521 520.694939842248 0.305060157752223 8 0.321428571428571 1.5 -1 40.1756063800385 37 0.9 58 0.7 522.2814641 5838.165791 0 0 0 0 "Unambiguous" +143300.426574 523.0740492 "C22H20O15" "O15" "CHO" 22 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.08132565216 523.07294352034 2.10974825063665 2.11 523 522.489980043737 0.51001995626325 13 0.681818181818182 0.909090909090909 -2 40.3138630748077 37 0.9 46 0.4 0 0 0 0 0 0 "Unambiguous" +342617.447838 523.1104842 "C23H24O14" "O14" "CHO" 23 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.11776065216 523.10932902564 2.20403589932495 2.2 523 522.52637436009 0.473625639909756 12 0.608695652173913 1.04347826086957 -2 40.3166619598308 37 0.9 48 0.5 524.1135359 11433.80067 525.1162354 4576.368202 0 0 "Unambiguous" +366293.190139 523.1468497 "C24H28O13" "O13" "CHO" 24 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.15412615216 523.14571453094 2.16571615751324 2.17 523 522.562699254048 0.437300745951916 11 0.541666666666667 1.16666666666667 -2 40.3194608448538 37 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +111542.856053 523.1623728 "C28H28O10" "O10" "CHO" 28 28 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.16964925216 523.16097066404 2.67496594281439 2.67 523 522.578205020816 0.421794979184028 15 0.357142857142857 1 5 40.3206343935538 38 0.9 58 0.5 524.1646087 8566.883032 0 0 0 0 "Unambiguous" +314708.559797 523.1833692 "C25H32O12" "O12" "CHO" 25 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.19064565216 523.18210003624 2.42118734967508 2.42 523 522.599177976048 0.400822023951832 10 0.48 1.28 -2 40.3222597298769 37 0.9 52 0.6 524.1867144 35328.902042 0 0 0 0 "Unambiguous" +249090.545311 523.2199008 "C26H36O11" "O11" "CHO" 26 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.22717725216 523.21848554154 2.69970448205448 2.7 523 522.635668784537 0.364331215462698 9 0.423076923076923 1.38461538461538 -2 40.3250586149 37 0.9 54 0.7 524.2231113 26097.763829 0 0 0 0 "Unambiguous" +5968.346014 523.235111 "C30H36O8" "O8" "CHO" 30 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.24238745216 523.23374167464 2.61200809539459 2.61 523 522.650862000692 0.349137999308027 13 0.266666666666667 1.2 5 40.3262321636 38 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +146101.50371 523.2560596 "C27H40O10" "O10" "CHO" 27 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.26333605216 523.25487104684 2.26709189493864 2.27 523 522.671787209298 0.328212790701855 8 0.37037037037037 1.48148148148148 -2 40.3278574999231 37 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +34582.17398 523.2927073 "C28H44O9" "O9" "CHO" 28 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.29998375216 523.29125655214 2.76701870097397 2.77 523 522.708393988149 0.291606011851059 7 0.321428571428571 1.57142857142857 -2 40.3306563849462 37 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +12061.930582 523.3285712 "C29H48O8" "O8" "CHO" 29 48 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 524.33584765216 523.32764205744 1.77203707165926 1.77 523 522.744217842198 0.255782157802173 6 0.275862068965517 1.6551724137931 -2 40.3334552699692 37 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +8946.314828 525.0523354 "C21H18O16" "O16" "CHO" 21 18 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.05961185216 525.05220807884 0.242028008090992 0.24 525 524.466057271693 0.533942728307352 13 0.761904761904762 0.857142857142857 -3 40.4661141946923 37 0.9 44 0.4 0 0 0 0 0 0 "Unambiguous" +195981.790485 525.0897372 "C22H22O15" "O15" "CHO" 22 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.09701365216 525.08859358414 2.17377371529751 2.17 525 524.503417308509 0.496582691491426 12 0.681818181818182 1 -3 40.4689130797154 37 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +300328.837736 525.1259617 "C23H26O14" "O14" "CHO" 23 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.13323815216 525.12497908944 1.8676078390517 1.87 525 524.539601359908 0.460398640091739 11 0.608695652173913 1.1304347826087 -3 40.4717119647385 37 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +156539.94878 525.141185 "C27H26O11" "O11" "CHO" 27 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.14846145216 525.14023522254 1.80515107335936 1.81 525 524.554807661436 0.445192338564425 15 0.407407407407407 0.962962962962963 4 40.4728855134385 38 0.9 56 0.5 526.1450564 20937.359957 0 0 0 0 "Unambiguous" +316852.922408 525.1627347 "C24H30O13" "O13" "CHO" 24 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.17001115216 525.16136459474 2.60392122496644 2.6 525 524.576333298848 0.423666701152001 10 0.541666666666667 1.25 -3 40.4745108497615 37 0.9 50 0.6 526.166023 7754.275316 527.1684196 4071.496864 0 0 "Unambiguous" +284399.781537 525.198886 "C25H34O12" "O12" "CHO" 25 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.20616245216 525.19775010004 2.15865955407527 2.16 525 524.612444231984 0.387555768016455 9 0.48 1.36 -3 40.4773097347846 37 0.9 52 0.7 526.2022172 12395.481469 0 0 0 0 "Unambiguous" +102497.389042 525.2142406 "C29H34O9" "O9" "CHO" 29 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.22151705216 525.21300623314 2.34571719343246 2.35 525 524.6277816869 0.372218313100007 13 0.310344827586207 1.17241379310345 4 40.4784832834846 38 0.9 60 0.6 526.2178113 4585.836908 0 0 0 0 "Unambiguous" +209374.488566 525.2348399 "C26H38O11" "O11" "CHO" 26 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.24211635216 525.23413560534 1.33834719453812 1.34 525 524.648357985538 0.351642014462413 8 0.423076923076923 1.46153846153846 -3 40.4801086198077 37 0.9 54 0.7 526.2390221 20210.931258 0 0 0 0 "Unambiguous" +8432.385242 525.2505071 "C30H38O8" "O8" "CHO" 30 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.25778355216 525.24939173844 2.11942054817231 2.12 525 524.664007691402 0.335992308597838 12 0.266666666666667 1.26666666666667 4 40.4812821685077 38 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +96398.262374 525.2716463 "C27H42O10" "O10" "CHO" 27 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.27892275216 525.27052111064 2.13800954484649 2.14 525 524.685123287183 0.314876712817409 7 0.37037037037037 1.55555555555556 -3 40.4829075048308 37 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +24788.91055 525.3080988 "C28H46O9" "O9" "CHO" 28 46 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.31537525216 525.30690661594 2.26515149686119 2.27 525 524.721535083995 0.278464916004623 6 0.321428571428571 1.64285714285714 -3 40.4857063898538 37 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +4161.548069 525.3435858 "C29H50O8" "O8" "CHO" 29 50 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 526.35086225216 525.34329212124 0.557952463092993 0.56 525 524.756982458894 0.243017541105814 5 0.275862068965517 1.72413793103448 -3 40.4885052748769 37 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +49141.327892 527.0686111 "C21H20O16" "O16" "CHO" 21 20 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.07588755216 527.06785814264 1.42585067357328 1.43 527 526.480081580233 0.519918419766555 12 0.761904761904762 0.952380952380952 -4 40.6211641996 37 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +209092.633841 527.1054675 "C22H24O15" "O15" "CHO" 22 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.11274395216 527.10424364794 2.31740679238428 2.32 527 526.516896826048 0.483103173951918 11 0.681818181818182 1.09090909090909 -4 40.6239630846231 37 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +286826.215368 527.1420112 "C23H28O14" "O14" "CHO" 23 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.14928765216 527.14062915324 2.61677293203145 2.62 527 526.553399721026 0.44660027897396 10 0.608695652173913 1.21739130434783 -4 40.6267619696462 37 0.9 48 0.6 528.1452327 6815.239664 529.1473203 2307.371757 0 0 "Unambiguous" +235243.533532 527.178036 "C24H32O13" "O13" "CHO" 24 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.18531245216 527.17701465854 1.9336801610481 1.93 527 526.589384295413 0.410615704587372 9 0.541666666666667 1.33333333333333 -4 40.6295608546692 37 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +240172.191554 527.2144706 "C25H36O12" "O12" "CHO" 25 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.22174705216 527.21340016384 2.02649013602418 2.03 527 526.625778212213 0.374221787787178 8 0.48 1.44 -4 40.6323597396923 37 0.9 52 0.7 528.2184858 8957.634583 0 0 0 0 "Unambiguous" +148844.769882 527.2507834 "C26H40O11" "O11" "CHO" 26 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.25805985216 527.24978566914 1.88871866964935 1.89 527 526.662050465016 0.337949534984091 7 0.423076923076923 1.53846153846154 -4 40.6351586247154 37 0.9 54 0.7 528.2535791 11531.256331 0 0 0 0 "Unambiguous" +81894.595846 527.2871785 "C27H44O10" "O10" "CHO" 27 44 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.29445495216 527.28617117444 1.9067502043815 1.91 527 526.698404925922 0.301595074077909 6 0.37037037037037 1.62962962962963 -4 40.6379575097385 37 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +22325.981248 527.323798 "C28H48O9" "O9" "CHO" 28 48 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 528.33107445216 527.32255667974 2.3495121148523 2.35 527 526.734983536261 0.265016463738789 5 0.321428571428571 1.71428571428571 -4 40.6407563947615 37 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +54192.129604 529.0639047 "C24H18O14" "O14" "CHO" 24 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.07118115216 529.06237883424 2.87860539152915 2.88 529 528.473147217575 0.526852782425408 16 0.583333333333333 0.75 2 40.7745888681846 38 0.9 50 0.4 530.067348 2103.762353 0 0 0 0 "Unambiguous" +78873.128332 529.0843153 "C21H22O16" "O16" "CHO" 21 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.09159175216 529.08350820644 1.52255491789347 1.52 529 528.493535026916 0.50646497308378 11 0.761904761904762 1.04761904761905 -5 40.7762142045077 37 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +221707.898362 529.0999901 "C25H22O13" "O13" "CHO" 25 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.10726655216 529.09876433954 2.31228760164055 2.31 529 528.509192324295 0.490807675705355 15 0.52 0.88 2 40.7773877532077 38 0.9 52 0.4 530.1041009 32012.965679 0 0 0 0 "Unambiguous" +221507.024299 529.1211503 "C22H26O15" "O15" "CHO" 22 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.12842675216 529.11989371174 2.37034687544148 2.37 529 528.530328896626 0.469671103373798 10 0.681818181818182 1.18181818181818 -5 40.7790130895308 37 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +218269.039576 529.1572823 "C23H30O14" "O14" "CHO" 23 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.16455875216 529.15627921704 1.89202190795946 1.89 529 528.566420551312 0.433579448687738 9 0.608695652173913 1.30434782608696 -5 40.7818119745538 37 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +227638.852602 529.172839 "C27H30O11" "O11" "CHO" 27 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.18011545216 529.17153535014 2.45888108945838 2.46 529 528.581959880562 0.418040119437933 13 0.407407407407407 1.11111111111111 2 40.7829855232538 38 0.9 56 0.5 530.1764834 47943.909329 0 0 0 0 "Unambiguous" +181765.649742 529.1936167 "C24H34O13" "O13" "CHO" 24 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.20089315216 529.19266472234 1.79550368972804 1.8 529 528.602714379997 0.397285620003345 8 0.541666666666667 1.41666666666667 -5 40.7846108595769 37 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +50159.977369 529.2064144 "C28H34O10" "O10" "CHO" 28 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.21369085216 529.20792085544 -2.84122320110783 2.84 529 528.61549778997 0.384502210029609 12 0.357142857142857 1.21428571428571 2 40.7857844082769 38 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +158067.456678 529.2304043 "C25H38O12" "O12" "CHO" 25 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.23768075216 529.22905022764 2.55370828823761 2.55 529 528.639460902634 0.3605390973662 7 0.48 1.52 -5 40.7874097446 37 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +94157.683979 529.2454561 "C29H38O9" "O9" "CHO" 29 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.25273255216 529.24430636074 2.16828540314801 2.17 529 528.654495895659 0.345504104340534 11 0.310344827586207 1.31034482758621 2 40.7885832933 38 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +63911.385725 529.2668498 "C26H42O11" "O11" "CHO" 26 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.27412625216 529.26543573294 2.66667180249289 2.67 529 528.675865707263 0.324134292736971 6 0.423076923076923 1.61538461538462 -5 40.7902086296231 37 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +29009.745532 529.3026461 "C27H46O10" "O10" "CHO" 27 46 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.30992255216 529.30182123824 1.55543338880458 1.56 529 528.711622036795 0.288377963205448 5 0.37037037037037 1.7037037037037 -5 40.7930075146462 37 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +6923.779899 529.3390458 "C28H50O9" "O9" "CHO" 28 50 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 530.34632225216 529.33820674354 1.58209159732738 1.58 529 528.747981092564 0.252018907435627 4 0.321428571428571 1.78571428571429 -5 40.7958063996692 37 0.9 58 0.9 0 0 0 0 0 0 "Unambiguous" +176613.94245 531.0796055 "C24H20O14" "O14" "CHO" 24 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.08688195216 531.07802889804 2.96305361672885 2.96 531 530.486597268054 0.513402731946144 15 0.583333333333333 0.833333333333333 1 40.9296388730923 38 0.9 50 0.4 532.0830777 13335.443311 0 0 0 0 "Unambiguous" +115652.542152 531.1002852 "C21H24O16" "O16" "CHO" 21 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.10756165216 531.09915827024 2.11786082603857 2.12 531 530.507253876916 0.492746123083862 10 0.761904761904762 1.14285714285714 -6 40.9312642094154 37 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +321591.061174 531.1157098 "C25H24O13" "O13" "CHO" 25 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.12298625216 531.11441440334 2.43439335166053 2.43 531 530.52266125367 0.47733874633002 14 0.52 0.96 1 40.9324377581154 38 0.9 52 0.5 532.1195328 45239.048182 0 0 0 0 "Unambiguous" +148479.872194 531.1369181 "C22H28O15" "O15" "CHO" 22 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.14419455216 531.13554377554 2.58261665557208 2.58 531 530.543845872293 0.456154127707237 9 0.681818181818182 1.27272727272727 -6 40.9340630944385 37 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +317890.888908 531.1520696 "C26H28O12" "O12" "CHO" 26 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.15934605216 531.15079990864 2.38592325665823 2.39 531 530.558980453992 0.44101954600751 13 0.461538461538462 1.07692307692308 1 40.9352366431385 38 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +161100.582356 531.1731691 "C23H32O14" "O14" "CHO" 23 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.18044555216 531.17192928084 2.3296969483819 2.33 531 530.580056394102 0.419943605897743 8 0.608695652173913 1.39130434782609 -6 40.9368619794615 37 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +257591.372737 531.1887272 "C27H32O11" "O11" "CHO" 27 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.19600365216 531.18718541394 2.89702675218871 2.9 531 530.595597121789 0.404402878211158 12 0.407407407407407 1.18518518518519 1 40.9380355281615 38 0.9 56 0.6 532.1918367 35623.113603 0 0 0 0 "Unambiguous" +111635.344562 531.2094436 "C24H36O13" "O13" "CHO" 24 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.21672005216 531.20831478614 2.12096654883983 2.12 531 530.616290389671 0.383709610328538 7 0.541666666666667 1.5 -6 40.9396608644846 37 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +54884.920662 531.2457773 "C25H40O12" "O12" "CHO" 25 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.25305375216 531.24470029144 2.02348967723834 2.02 531 530.652583519137 0.347416480862535 6 0.48 1.6 -6 40.9424597495077 37 0.9 52 0.8 532.2492984 2473.652174 0 0 0 0 "Unambiguous" +86667.212405 531.2613827 "C29H40O9" "O9" "CHO" 29 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.26865915216 531.25995642454 2.67961570801565 2.68 531 530.668171494008 0.331828505991552 10 0.310344827586207 1.37931034482759 1 40.9436332982077 38 0.9 60 0.7 532.2649492 3840.792158 0 0 0 0 "Unambiguous" +12334.830063 531.2820132 "C26H44O11" "O11" "CHO" 26 44 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.28928965216 531.28108579674 1.74229179136656 1.74 531 530.688778957808 0.311221042192074 5 0.423076923076923 1.69230769230769 -6 40.9452586345308 37 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +19560.797381 531.2977044 "C30H44O8" "O8" "CHO" 30 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.30498085216 531.29634192984 2.55956680678354 2.56 531 530.704452636874 0.295547363126161 9 0.266666666666667 1.46666666666667 1 40.9464321832308 38 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +2749.816444 531.3181237 "C27H48O10" "O10" "CHO" 27 48 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.32540015216 531.31747130204 1.2255623343397 1.23 531 530.724849136501 0.275150863498993 4 0.37037037037037 1.77777777777778 -6 40.9480575195538 37 0.9 56 0.9 0 0 0 0 0 0 "Unambiguous" +3795.984818 531.3336524 "C31H48O7" "O7" "CHO" 31 48 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 532.34092885216 531.33272743514 1.73754225889288 1.74 531 530.740360497016 0.259639502984214 8 0.225806451612903 1.54838709677419 1 40.9492310682538 38 0.9 64 0.8 0 0 0 0 0 0 "Unambiguous" +265779.37417 533.0952193 "C24H22O14" "O14" "CHO" 24 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.10249575216 533.09367896184 2.883974840714 2.88 533 532.499960415678 0.500039584321826 14 0.583333333333333 0.916666666666667 0 41.084688878 38 0.9 50 0.4 534.0987391 18407.870343 0 0 0 0 "Unambiguous" +72856.129066 533.1160921 "C21H26O16" "O16" "CHO" 21 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.12336855216 533.11480833404 2.40350083048621 2.4 533 532.520809908923 0.479190091076816 9 0.761904761904762 1.23809523809524 -7 41.0863142143231 37 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +357766.569916 533.1311247 "C25H26O13" "O13" "CHO" 25 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.13840115216 533.13006446714 1.98494034081828 1.98 533 532.535825723388 0.464174276612312 13 0.52 1.04 0 41.0874877630231 38 0.9 52 0.5 534.1351132 45199.286729 0 0 0 0 "Unambiguous" +98573.060014 533.1524119 "C22H30O15" "O15" "CHO" 22 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.15968835216 533.15119383934 2.28033055761228 2.28 533 532.55708915391 0.442910846089944 8 0.681818181818182 1.36363636363636 -7 41.0891130993462 37 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +336365.730949 533.1677381 "C26H30O12" "O12" "CHO" 26 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.17501455216 533.16644997244 2.41143356555868 2.41 533 532.572398240538 0.427601759461822 12 0.461538461538462 1.15384615384615 0 41.0902866480462 38 0.9 54 0.6 534.1714315 43830.205096 0 0 0 0 "Unambiguous" +79687.568778 533.1886611 "C23H34O14" "O14" "CHO" 23 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.19593755216 533.18757934464 2.02501607364519 2.03 533 532.593297877729 0.406702122270531 7 0.608695652173913 1.47826086956522 -7 41.0919119843692 37 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +260632.018871 533.2040755 "C27H34O11" "O11" "CHO" 27 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.21135195216 533.20283547774 2.32122034756029 2.32 533 532.608695065873 0.39130493412722 11 0.407407407407407 1.25925925925926 0 41.0930855330692 38 0.9 56 0.6 534.2073312 38847.993144 0 0 0 0 "Unambiguous" +22788.106355 533.2249973 "C24H38O13" "O13" "CHO" 24 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.23227375216 533.22396484994 1.93258646243972 1.93 533 532.629593504404 0.370406495595944 6 0.541666666666667 1.58333333333333 -7 41.0947108693923 37 0.9 50 0.8 0 0 0 0 0 0 "Unambiguous" +169543.758564 533.2405803 "C28H38O10" "O10" "CHO" 28 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.24785675216 533.23922098304 2.54435641217834 2.54 533 532.645159104287 0.354840895712982 10 0.357142857142857 1.35714285714286 0 41.0958844180923 38 0.9 58 0.7 534.243751 17238.566191 0 0 0 0 "Unambiguous" +5107.831627 533.3132951 "C30H46O8" "O8" "CHO" 30 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 534.32057155216 533.31199199364 2.43881001302987 2.44 533 532.717792710292 0.282207289708367 8 0.266666666666667 1.53333333333333 0 41.1014821881385 38 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +4456.019279 535.0367664 "C22H16O16" "O16" "CHO" 22 16 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.04404285216 535.03655801504 0.388745967473025 0.39 535 534.439339566841 0.56066043315866 15 0.727272727272727 0.727272727272727 -1 41.2341411128615 38 0.9 46 0.3 0 0 0 0 0 0 "Unambiguous" +309973.964601 535.1105989 "C24H24O14" "O14" "CHO" 24 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.11787535216 535.10932902564 2.36864767688845 2.37 535 534.513089624812 0.48691037518779 13 0.583333333333333 1 -1 41.2397388829077 38 0.9 50 0.5 536.1144181 10637.225744 0 0 0 0 "Unambiguous" +24835.451906 535.1316747 "C21H28O16" "O16" "CHO" 21 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.13895115216 535.13045839784 2.2686323337121 2.27 535 534.534141891386 0.465858108614384 8 0.761904761904762 1.33333333333333 -8 41.2413642192308 37 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +358875.162212 535.1470112 "C25H28O13" "O13" "CHO" 25 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.15428765216 535.14571453094 2.41846253939941 2.42 535 534.549461266513 0.450538733487292 12 0.52 1.12 -1 41.2425377679308 38 0.9 52 0.5 536.15086 46056.490408 0 0 0 0 "Unambiguous" +2490.27052 535.1673373 "C22H32O15" "O15" "CHO" 22 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.17461375216 535.16684390314 0.920216749190215 0.92 535 534.569764670208 0.43023532979214 7 0.681818181818182 1.45454545454545 -8 41.2441631042538 37 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +308287.198088 535.1834968 "C26H32O12" "O12" "CHO" 26 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.19077325216 535.18210003624 2.60497537383417 2.6 535 534.585906126366 0.414093873634215 11 0.461538461538462 1.23076923076923 -1 41.2453366529538 38 0.9 54 0.6 536.1872984 17952.240364 0 0 0 0 "Unambiguous" +13752.229135 535.1984361 "C30H32O9" "O9" "CHO" 30 32 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.20571255216 535.19735616934 2.01402304140306 2.01 535 534.60082874501 0.399171254990051 15 0.3 1.06666666666667 6 41.2465102016538 39 0.9 62 0.5 536.2014864 4435.212477 0 0 0 0 "Unambiguous" +4596.92061 535.2040102 "C23H36O14" "O14" "CHO" 23 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.21128665216 535.20322940844 1.45612667892034 1.46 535 534.60639662092 0.393603379079877 6 0.608695652173913 1.56521739130435 -8 41.2469619892769 37 0.9 48 0.8 0 0 0 0 0 0 "Unambiguous" +243551.822452 535.2198754 "C27H36O11" "O11" "CHO" 27 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.22715185216 535.21848554154 2.59192108272576 2.59 535 534.622244105696 0.377755894303959 10 0.407407407407407 1.33333333333333 -1 41.2481355379769 38 0.9 56 0.6 536.2234382 26135.460758 0 0 0 0 "Unambiguous" +14526.964322 535.2342705 "C31H36O8" "O8" "CHO" 31 36 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.24154695216 535.23374167464 0.986170062723726 0.99 535 534.636623131999 0.363376868001183 14 0.258064516129032 1.16129032258065 6 41.2493090866769 39 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +49133.328186 535.2925722 "C29H44O9" "O9" "CHO" 29 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.29984865216 535.29125655214 2.45319453903116 2.45 535 534.6948597318 0.305140268200262 8 0.310344827586207 1.51724137931034 -1 41.2537333080231 38 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +9439.200825 535.3291099 "C30H48O8" "O8" "CHO" 30 48 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 536.33638635216 535.32764205744 2.73679466354257 2.74 535 534.731356633478 0.268643366522383 7 0.266666666666667 1.6 -1 41.2565321930462 38 0.9 62 0.8 0 0 0 0 0 0 "Unambiguous" +6363.746331 537.0533077 "C22H18O16" "O16" "CHO" 22 18 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.06058415216 537.05220807884 2.04367536377723 2.04 537 536.453629178811 0.546370821189157 14 0.727272727272727 0.818181818181818 -2 41.3891911177692 38 0.9 46 0.4 0 0 0 0 0 0 "Unambiguous" +47423.496991 537.0687183 "C26H18O13" "O13" "CHO" 26 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.07599475216 537.06746421194 2.33068947928133 2.33 537 536.469022571197 0.530977428802885 18 0.5 0.692307692307692 5 41.3903646664692 39 0.9 54 0.3 0 0 0 0 0 0 "Unambiguous" +179648.039833 537.0899245 "C23H22O15" "O15" "CHO" 23 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.09720095216 537.08859358414 2.47337443444316 2.47 537 536.490205092165 0.509794907835158 13 0.652173913043478 0.956521739130435 -2 41.3919900027923 38 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +337840.610853 537.1262618 "C24H26O14" "O14" "CHO" 24 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.13353825216 537.12497908944 2.38362872555547 2.38 537 536.526501817611 0.473498182388994 12 0.583333333333333 1.08333333333333 -2 41.3947888878154 38 0.9 50 0.5 538.1294356 18720.589883 0 0 0 0 "Unambiguous" +11391.528169 537.1474901 "C21H30O16" "O16" "CHO" 21 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.15476655216 537.14610846164 2.56736248736788 2.57 537 536.547706413902 0.452293586098449 7 0.761904761904762 1.42857142857143 -9 41.3964142241385 37 0.9 44 0.7 0 0 0 0 0 0 "Unambiguous" +301782.9853 537.1628434 "C25H30O13" "O13" "CHO" 25 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.17011985216 537.16136459474 2.74783977312124 2.75 537 536.56304257027 0.436957429730342 11 0.52 1.2 -2 41.3975877728385 38 0.9 52 0.6 538.1658637 20301.589974 0 0 0 0 "Unambiguous" +17388.056209 537.1750691 "C29H30O10" "O10" "CHO" 29 30 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.18234555216 537.17662072784 -2.88308944520712 2.88 537 536.575254618944 0.424745381056255 15 0.344827586206897 1.03448275862069 5 41.3987613215385 39 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +304666.130679 537.1992296 "C26H34O12" "O12" "CHO" 26 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.20650605216 537.19775010004 2.74894476990639 2.75 537 536.599388141114 0.40061185888635 10 0.461538461538462 1.30769230769231 -2 41.4003866578615 38 0.9 54 0.6 538.2026872 23715.593714 0 0 0 0 "Unambiguous" +58360.317044 537.2145486 "C30H34O9" "O9" "CHO" 30 34 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.22182505216 537.21300623314 2.86567134258888 2.87 537 536.614690035781 0.385309964218663 14 0.3 1.13333333333333 5 41.4015602065615 39 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +181004.412672 537.235424 "C27H38O11" "O11" "CHO" 27 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.24270045216 537.23413560534 2.3937057742808 2.39 537 536.635542126123 0.364457873876745 9 0.407407407407407 1.40740740740741 -2 41.4031855428846 38 0.9 56 0.7 538.2388638 14885.843915 0 0 0 0 "Unambiguous" +14859.258059 537.2503137 "C31H38O8" "O8" "CHO" 31 38 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.25759015216 537.24939173844 1.71286309177363 1.71 537 536.650415200151 0.349584799848799 13 0.258064516129032 1.2258064516129 5 41.4043590915846 39 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +93583.238868 537.2719203 "C28H42O10" "O10" "CHO" 28 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.27919675216 537.27052111064 2.59937476411561 2.6 537 536.671997674029 0.328002325971283 8 0.357142857142857 1.5 -2 41.4059844279077 38 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +7011.583226 537.3070863 "C29H46O9" "O9" "CHO" 29 46 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 538.31436275216 537.30690661594 0.333790202351662 0.33 537 536.707124407359 0.292875592641053 7 0.310344827586207 1.58620689655172 -2 41.4087833129308 38 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +2879.885247 539.0483361 "C25H16O14" "O14" "CHO" 25 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.05561255216 539.04672877044 2.97622971158894 2.98 539 538.446429912277 0.553570087723415 18 0.56 0.64 4 41.5426157863538 39 0.9 52 0.3 0 0 0 0 0 0 "Unambiguous" +244083.959794 539.1055478 "C23H24O15" "O15" "CHO" 23 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.11282425216 539.10424364794 2.41459191736001 2.41 539 538.503577729181 0.496422270818812 12 0.652173913043478 1.04347826086957 -3 41.5470400077 38 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +280056.248175 539.1419129 "C24H28O14" "O14" "CHO" 24 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.14918935216 539.14062915324 2.37665220149455 2.38 539 538.539902223586 0.460097776414273 11 0.583333333333333 1.16666666666667 -3 41.5498388927231 38 0.9 50 0.6 540.1459701 13205.922787 0 0 0 0 "Unambiguous" +267826.573144 539.1782466 "C25H32O13" "O13" "CHO" 25 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.18552305216 539.17701465854 2.28058955195759 2.28 539 538.576195353052 0.42380464694827 10 0.52 1.28 -3 41.5526377777461 38 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +217111.149353 539.2146781 "C26H36O12" "O12" "CHO" 26 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.22195455216 539.21340016384 2.36557612894826 2.37 539 538.612586173313 0.387413826686611 9 0.461538461538462 1.38461538461538 -3 41.5554366627692 38 0.9 54 0.7 540.2179525 6575.773393 0 0 0 0 "Unambiguous" +68492.095824 539.2302027 "C30H36O9" "O9" "CHO" 30 36 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.23747915216 539.22865629694 2.86245053281724 2.86 539 538.628093438406 0.371906561593732 13 0.3 1.2 4 41.5566102114692 39 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +144225.628117 539.2511314 "C27H40O11" "O11" "CHO" 27 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.25840785216 539.24978566914 2.4909022060439 2.49 539 538.648998769233 0.35100123076711 8 0.407407407407407 1.48148148148148 -3 41.5582355477923 38 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +50165.717104 539.2875679 "C28H44O10" "O10" "CHO" 28 44 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.29484435216 539.28617117444 2.58511731986947 2.59 539 538.685394583911 0.314605416088511 7 0.357142857142857 1.57142857142857 -3 41.5610344328154 38 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +6207.226482 539.3236386 "C29H48O9" "O9" "CHO" 29 48 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.33091505216 539.32255667974 2.00232899859946 2 539 538.721425007046 0.278574992954304 6 0.310344827586207 1.6551724137931 -3 41.5638333178385 38 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +5142.310779 539.3963055 "C31H56O7" "O7" "CHO" 31 56 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 540.40358195216 539.39532769034 1.80940632654389 1.81 539 538.794010766536 0.205989233464038 4 0.225806451612903 1.80645161290323 -3 41.5694310878846 38 0.9 64 0.9 0 0 0 0 0 0 "Unambiguous" +41906.210949 541.0639717 "C25H18O14" "O14" "CHO" 25 18 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.07124815216 541.06237883424 2.93848044043452 2.94 541 540.459814835559 0.540185164441141 17 0.56 0.72 3 41.6976657912615 39 0.9 52 0.3 0 0 0 0 0 0 "Unambiguous" +80801.807392 541.0850695 "C22H22O16" "O16" "CHO" 22 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.09234595216 541.08350820644 2.88012470880375 2.88 541 540.480889077567 0.519110922433129 12 0.727272727272727 1 -4 41.6992911275846 38 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +155284.511286 541.1003096 "C26H22O13" "O13" "CHO" 26 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.10758605216 541.09876433954 2.85046824593181 2.85 541 540.496112160335 0.503887839665026 16 0.5 0.846153846153846 3 41.7004646762846 39 0.9 54 0.4 542.1039829 13599.392415 0 0 0 0 "Unambiguous" +217149.05518 541.1212835 "C23H26O15" "O15" "CHO" 23 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.12855995216 541.11989371174 2.56357691265623 2.56 541 540.517062640691 0.482937359309062 11 0.652173913043478 1.1304347826087 -4 41.7020900126077 38 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +230464.366087 541.1576703 "C24H30O14" "O14" "CHO" 24 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.16494675216 541.15627921704 2.56579287953956 2.57 541 540.553408810865 0.44659118913512 10 0.583333333333333 1.25 -4 41.7048888976308 38 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +222221.792149 541.1941796 "C25H34O13" "O13" "CHO" 25 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.20145605216 541.19266472234 2.79393875287424 2.79 541 540.589877344254 0.410122655745567 9 0.52 1.36 -4 41.7076877826538 38 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +121723.30129 541.209423 "C29H34O10" "O10" "CHO" 29 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.21669945216 541.20792085544 2.77037679135911 2.77 541 540.605103723338 0.394896276662166 13 0.344827586206897 1.17241379310345 3 41.7088613313538 39 0.9 60 0.6 542.2127896 7059.581906 0 0 0 0 "Unambiguous" +169490.62125 541.2304833 "C26H38O12" "O12" "CHO" 26 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.23775975216 541.22905022764 2.64288558701984 2.64 541 540.626140507219 0.373859492781321 8 0.461538461538462 1.46153846153846 -4 41.7104866676769 38 0.9 54 0.7 542.2335822 10627.577272 0 0 0 0 "Unambiguous" +41934.734957 541.2456372 "C30H38O9" "O9" "CHO" 30 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.25291365216 541.24430636074 2.4542777485249 2.45 541 540.641277486239 0.35872251376145 12 0.3 1.26666666666667 3 41.7116602163769 39 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +107336.359529 541.2668938 "C27H42O11" "O11" "CHO" 27 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.27417025216 541.26543573294 2.68880049992568 2.69 541 540.662510350929 0.33748964907079 7 0.407407407407407 1.55555555555556 -4 41.7132855527 38 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +3016.101278 541.2813858 "C31H42O8" "O8" "CHO" 31 42 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.28866225216 541.28069186604 1.27963943975752 1.28 541 540.676986169032 0.323013830967625 11 0.258064516129032 1.35483870967742 3 41.7144591014 39 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +59108.447369 541.3030675 "C28H46O10" "O10" "CHO" 28 46 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.31034395216 541.30182123824 2.29806009400429 2.3 541 540.698643659053 0.30135634094745 6 0.357142857142857 1.64285714285714 -4 41.7160844377231 38 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +15580.51774 541.3393222 "C29H50O9" "O9" "CHO" 29 50 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 542.34659865216 541.33820674354 2.05672251442582 2.06 541 540.734857876731 0.265142123269356 5 0.310344827586207 1.72413793103448 -4 41.7188833227461 38 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +3860.275133 543.0636106 "C21H20O17" "O17" "CHO" 21 20 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.07088705216 543.06277276494 1.53993731319901 1.54 543 542.457220920899 0.54277907910091 12 0.80952380952381 0.952380952380952 -5 41.8515422474692 38 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +115689.262091 543.0793806 "C25H20O14" "O14" "CHO" 25 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.08665705216 543.07802889804 2.48435050288636 2.48 543 542.472973311976 0.527026688023739 16 0.56 0.8 2 41.8527157961692 39 0.9 52 0.4 544.0819804 4331.132987 0 0 0 0 "Unambiguous" +127453.907933 543.1007076 "C22H24O16" "O16" "CHO" 22 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.10798405216 543.09915827024 2.84746742449468 2.85 543 542.494276498058 0.505723501942498 11 0.727272727272727 1.09090909090909 -5 41.8543411324923 38 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +253277.587254 543.1158437 "C26H24O13" "O13" "CHO" 26 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.12312015216 543.11441440334 2.62678906133489 2.63 543 542.509395696953 0.490604303046894 15 0.5 0.923076923076923 2 41.8555146811923 39 0.9 54 0.4 544.119026 20941.415447 0 0 0 0 "Unambiguous" +191848.078558 543.1368899 "C23H28O15" "O15" "CHO" 23 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.14416635216 543.13554377554 2.47383789679541 2.47 543 542.530418396578 0.469581603421943 10 0.652173913043478 1.21739130434783 -5 41.8571400175154 38 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +177688.221576 543.1733645 "C24H32O14" "O14" "CHO" 24 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.18064095216 543.17192928084 2.63739473997554 2.64 543 542.566852268714 0.433147731286113 9 0.583333333333333 1.33333333333333 -5 41.8599389025385 38 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +126590.961621 543.2250102 "C29H36O10" "O10" "CHO" 29 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.23228665216 543.22357091924 2.64460745054932 2.64 543 542.618440300664 0.381559699336094 12 0.344827586206897 1.24137931034483 2 41.8639113362615 39 0.9 60 0.6 544.2280045 2442.685427 0 0 0 0 "Unambiguous" +134795.767971 543.2456829 "C26H40O12" "O12" "CHO" 26 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.25295935216 543.24470029144 1.80542621421739 1.81 543 542.639089917342 0.360910082657597 7 0.461538461538462 1.53846153846154 -5 41.8655366725846 38 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +59971.346037 543.2825068 "C27H44O11" "O11" "CHO" 27 44 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.28978325216 543.28108579674 2.61074762678093 2.61 543 542.675872699447 0.324127300553414 6 0.407407407407407 1.62962962962963 -5 41.8683355576077 38 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +5144.462055 543.3185876 "C28H48O10" "O10" "CHO" 28 48 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 544.32586405216 543.31747130204 2.05078985541567 2.05 543 542.711913211303 0.288086788697001 5 0.357142857142857 1.71428571428571 -5 41.8711344426308 38 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +38567.11352 545.058868 "C24H18O15" "O15" "CHO" 24 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.06614445216 545.05729345654 2.88342992151118 2.88 545 544.450250398661 0.54974960133859 16 0.625 0.75 1 42.0049669160538 39 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +3145.228624 545.1102386 "C29H22O11" "O11" "CHO" 29 22 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.11751505216 545.10893509494 2.38685818364938 2.39 545 544.501563637791 0.498436362209418 19 0.379310344827586 0.758620689655172 8 42.0089393497769 40 1 60 0.4 0 0 0 0 0 0 "Unambiguous" +129246.719667 545.1159508 "C22H26O16" "O16" "CHO" 22 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.12322725216 545.11480833404 2.09195636239442 2.09 545 544.507269459497 0.492730540502976 10 0.727272727272727 1.18181818181818 -6 42.0093911374 38 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +282534.509754 545.1316456 "C26H26O13" "O13" "CHO" 26 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.13892205216 545.13006446714 2.8951111084619 2.9 545 544.522946734543 0.477053265456902 14 0.5 1 1 42.0105646861 39 0.9 54 0.5 546.1350105 25033.601855 0 0 0 0 "Unambiguous" +150638.651436 545.1526102 "C23H30O15" "O15" "CHO" 23 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.15988665216 545.15119383934 2.59330773769418 2.59 545 544.543887925284 0.45611207471643 9 0.652173913043478 1.30434782608696 -6 42.0121900224231 38 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +127845.265396 545.1886925 "C24H34O14" "O14" "CHO" 24 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.19596895216 545.18757934464 2.03801460154727 2.04 545 544.579929935465 0.420070064535025 8 0.583333333333333 1.41666666666667 -6 42.0149889074462 38 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +87630.032849 545.2253115 "C25H38O13" "O13" "CHO" 25 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.23258795216 545.22396484994 2.46534185196595 2.47 545 544.616508046362 0.383491953637645 7 0.52 1.52 -6 42.0177877924692 38 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +58933.884996 545.2612791 "C26H42O12" "O12" "CHO" 26 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.26855555216 545.26035035524 1.70016148756447 1.7 545 544.652435484619 0.347564515381009 6 0.461538461538462 1.61538461538462 -6 42.0205866774923 38 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +4905.117986 545.2975191 "C27H46O11" "O11" "CHO" 27 46 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.30479555216 545.29673586054 1.43370416367731 1.43 545 544.688635018711 0.311364981288762 5 0.407407407407407 1.7037037037037 -6 42.0233855625154 38 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +5786.745163 545.312499 "C31H46O8" "O8" "CHO" 31 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 546.31977545216 545.31199199364 0.928039552746064 0.93 545 544.703598192021 0.296401807979009 9 0.258064516129032 1.48387096774194 1 42.0245591112154 39 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +6178.987676 547.089242 "C28H20O12" "O12" "CHO" 28 20 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.09651845216 547.08819965344 1.90175730896425 1.9 547 546.478357264915 0.521642735085493 19 0.428571428571429 0.714285714285714 7 42.1611904696615 40 0.9 58 0.3 548.0921412 3152.45728 0 0 0 0 "Unambiguous" +19558.974226 547.0952316 "C21H24O17" "O17" "CHO" 21 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.10250805216 547.09407289254 2.11403422354964 2.11 547 546.484340176874 0.515659823126271 10 0.80952380952381 1.14285714285714 -7 42.1616422572846 38 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +110699.816156 547.1316813 "C22H28O16" "O16" "CHO" 22 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.13895775216 547.13045839784 2.23100756232927 2.23 547 546.520749176813 0.479250823187044 9 0.727272727272727 1.27272727272727 -7 42.1644411423077 38 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +309479.180204 547.1471359 "C26H28O13" "O13" "CHO" 26 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.15441235216 547.14571453094 2.59300851732782 2.59 547 546.536186520069 0.463813479931446 13 0.5 1.07692307692308 0 42.1656146910077 39 0.9 54 0.5 548.1510017 22059.080174 0 0 0 0 "Unambiguous" +60151.21815 547.1678857 "C23H32O15" "O15" "CHO" 23 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.17516215216 547.16684390314 1.90048169283301 1.9 547 546.556913150657 0.443086849343331 8 0.652173913043478 1.39130434782609 -7 42.1672400273308 38 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +34761.948195 547.2042651 "C24H36O14" "O14" "CHO" 24 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.21154155216 547.20322940844 1.8892188171973 1.89 547 546.593251929094 0.406748070906474 7 0.583333333333333 1.5 -7 42.1700389123538 38 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +209816.579262 547.2201196 "C28H36O11" "O11" "CHO" 28 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.22739605216 547.21848554154 2.98062167593226 2.98 547 546.609088725817 0.390911274182827 11 0.392857142857143 1.28571428571429 0 42.1712124610538 39 0.9 58 0.6 548.2236814 11795.245179 0 0 0 0 "Unambiguous" +10357.186242 547.240166 "C25H40O13" "O13" "CHO" 25 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.24744245216 547.23961491374 1.00517798610011 1.01 547 546.629112741828 0.370887258172047 6 0.52 1.6 -7 42.1728377973769 38 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +24000.019911 547.2926825 "C30H44O9" "O9" "CHO" 30 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.29995895216 547.29125655214 2.60067110470346 2.6 547 546.681570601435 0.318429398565286 9 0.3 1.46666666666667 0 42.1768102311 39 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +3874.885039 547.3280404 "C31H48O8" "O8" "CHO" 31 48 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 548.33531685216 547.32764205744 0.726457967788705 0.73 547 546.716889020488 0.28311097951223 8 0.258064516129032 1.54838709677419 0 42.1796091161231 39 0.9 64 0.8 0 0 0 0 0 0 "Unambiguous" +3266.194622 549.0689474 "C27H18O13" "O13" "CHO" 27 18 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.07622385216 549.06746421194 2.6963318821379 2.7 549 548.455852108179 0.544147891821012 19 0.481481481481481 0.666666666666667 6 42.3134415895462 40 0.9 56 0.3 0 0 0 0 0 0 "Unambiguous" +10299.072058 549.1109053 "C21H26O17" "O17" "CHO" 21 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.11818175216 549.10972295634 2.14925392243621 2.15 549 548.497763157613 0.502236842386878 9 0.80952380952381 1.23809523809524 -8 42.3166922621923 38 0.9 44 0.6 0 0 0 0 0 0 "Unambiguous" +265634.83612 549.1262731 "C25H26O14" "O14" "CHO" 25 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.13354955216 549.12497908944 2.35217532381469 2.35 549 548.51311379779 0.486886202209689 13 0.56 1.04 -1 42.3178658108923 39 0.9 52 0.5 550.1297065 8185.602886 0 0 0 0 "Unambiguous" +28426.414438 549.147414 "C22H30O16" "O16" "CHO" 22 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.15469045216 549.14610846164 2.37303867930328 2.37 549 548.534231091672 0.465768908327505 8 0.727272727272727 1.36363636363636 -8 42.3194911472154 38 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +291452.845265 549.1628245 "C26H30O13" "O13" "CHO" 26 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.17010095216 549.16136459474 2.65355252406882 2.65 549 548.549624384171 0.450375615829444 12 0.5 1.15384615384615 -1 42.3206646959154 39 0.9 54 0.6 550.1665175 5888.122314 0 0 0 0 "Unambiguous" +235738.95364 549.1989639 "C27H34O12" "O12" "CHO" 27 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.20624035216 549.19775010004 2.20608177610792 2.21 549 548.585723430594 0.414276569406411 11 0.444444444444444 1.25925925925926 -1 42.3234635809385 39 0.9 56 0.6 550.2028529 15793.653434 0 0 0 0 "Unambiguous" +4338.041953 549.2561959 "C25H42O13" "O13" "CHO" 25 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.26347235216 549.25526497754 1.69177586159511 1.69 549 548.642891524831 0.357108475168843 5 0.52 1.68 -8 42.3278878022846 38 0.9 52 0.8 0 0 0 0 0 0 "Unambiguous" +8072.316981 549.3075956 "C30H46O9" "O9" "CHO" 30 46 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 550.31487205216 549.30690661594 1.2519815382758 1.25 549 548.694233831467 0.305766168533069 8 0.3 1.53333333333333 -1 42.3318602360077 39 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +2250.214258 551.0474723 "C26H16O14" "O14" "CHO" 26 16 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.05474875216 551.04672877044 1.34684025745882 1.35 551 550.4321677696 0.567832230399631 19 0.538461538461538 0.615384615384615 5 42.4656927094308 40 0.9 54 0.3 0 0 0 0 0 0 "Unambiguous" +49774.912317 551.0842915 "C27H20O13" "O13" "CHO" 27 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.09156795216 551.08311427574 2.13229893051522 2.13 551 550.468945856953 0.531054143047299 18 0.481481481481481 0.740740740740741 5 42.4684915944539 40 0.9 56 0.4 552.0875632 5686.822577 0 0 0 0 "Unambiguous" +221710.863022 551.1058832 "C24H24O15" "O15" "CHO" 24 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.11315965216 551.10424364794 2.9695942421924 2.97 551 550.490513447468 0.509486552532394 13 0.625 1 -2 42.4701169307769 39 0.9 50 0.5 552.1100053 6062.60446 0 0 0 0 "Unambiguous" +77035.489609 551.1211209 "C28H24O12" "O12" "CHO" 28 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.12839735216 551.11949978104 2.93612675577364 2.94 551 550.505734132916 0.494265867084323 17 0.428571428571429 0.857142857142857 5 42.4712904794769 40 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +275020.186896 551.1421907 "C25H28O14" "O14" "CHO" 25 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.14946715216 551.14062915324 2.82812327631557 2.83 551 550.526780406189 0.473219593811223 12 0.56 1.12 -2 42.4729158158 39 0.9 52 0.5 552.1452661 4157.23333 0 0 0 0 "Unambiguous" +2709.098332 551.1629587 "C22H32O16" "O16" "CHO" 22 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.17023515216 551.16175852544 2.17355895634132 2.17 551 550.547525216454 0.45247478354554 7 0.727272727272727 1.45454545454545 -9 42.4745411521231 38 0.9 46 0.7 0 0 0 0 0 0 "Unambiguous" +203700.263443 551.214817 "C27H36O12" "O12" "CHO" 27 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.22209345216 551.21340016384 2.56569988207034 2.57 551 550.599325611013 0.400674388986545 10 0.444444444444444 1.33333333333333 -2 42.4785135858462 39 0.9 56 0.6 552.2180637 18368.390425 0 0 0 0 "Unambiguous" +52977.459761 551.28754 "C29H44O10" "O10" "CHO" 29 44 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.29481645216 551.28617117444 2.47843274865472 2.48 551 550.671967407862 0.328032592138015 8 0.344827586206897 1.51724137931034 -2 42.4841113558923 39 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +3200.343045 551.3603189 "C31H52O8" "O8" "CHO" 31 52 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 552.36759535216 551.35894218504 2.49238907508748 2.49 551 550.744665042292 0.255334957707987 6 0.258064516129032 1.67741935483871 -2 42.4897091259385 39 0.9 64 0.8 0 0 0 0 0 0 "Unambiguous" +90554.967556 553.085128 "C23H22O16" "O16" "CHO" 23 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.09240445216 553.08350820644 2.92332749382218 2.92 553 552.467548205042 0.532451794957751 13 0.695652173913043 0.956521739130435 -3 42.6223680506615 39 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +218315.856351 553.1210711 "C24H26O15" "O15" "CHO" 24 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.12834755216 553.11989371174 2.12475731511761 2.12 553 552.503451170656 0.49654882934442 12 0.625 1.08333333333333 -3 42.6251669356846 39 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +220702.936463 553.1573853 "C25H30O14" "O14" "CHO" 25 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.16466175216 553.15627921704 1.99594639696594 2 553 552.539724821895 0.460275178104553 11 0.56 1.2 -3 42.6279658207077 39 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +197754.210128 553.1937843 "C26H34O13" "O13" "CHO" 26 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.20106075216 553.19266472234 2.02016513352206 2.02 553 552.576083178447 0.423916821553121 10 0.5 1.30769230769231 -3 42.6307647057308 39 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +83830.138544 553.2093979 "C30H34O10" "O10" "CHO" 30 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.21667435216 553.20792085544 2.66510306958908 2.67 553 552.591679344162 0.408320655838338 14 0.333333333333333 1.13333333333333 4 42.6319382544308 40 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +150320.392023 553.2303561 "C27H38O12" "O12" "CHO" 27 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.23763255216 553.22905022764 2.35615967472637 2.36 553 552.612614142048 0.387385857951699 9 0.444444444444444 1.40740740740741 -3 42.6335635907538 39 0.9 56 0.7 554.2333779 8982.918557 0 0 0 0 "Unambiguous" +90243.080506 553.2670713 "C28H42O11" "O11" "CHO" 28 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.27434775216 553.26543573294 2.95082582597144 2.95 553 552.649288345528 0.350711654471979 8 0.392857142857143 1.5 -3 42.6363624757769 39 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +28840.310834 553.3030295 "C29H46O10" "O10" "CHO" 29 46 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 554.31030595216 553.30182123824 2.1797569827048 2.18 553 552.685206394281 0.314793605719387 7 0.344827586206897 1.58620689655172 -3 42.6391613608 39 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +4420.889405 555.0637267 "C22H20O17" "O17" "CHO" 22 20 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.07100315216 555.06277276494 1.71549146530431 1.72 555 554.443937584058 0.556062415942279 13 0.772727272727273 0.909090909090909 -4 42.7746191705462 39 0.9 46 0.4 0 0 0 0 0 0 "Unambiguous" +66400.828805 555.0796104 "C26H20O14" "O14" "CHO" 26 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.08688685216 555.07802889804 2.843983552564 2.84 555 554.459803548176 0.54019645182359 17 0.538461538461538 0.769230769230769 3 42.7757927192462 40 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +125295.419486 555.1006253 "C23H24O16" "O16" "CHO" 23 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.10790175216 555.09915827024 2.63803077686269 2.64 555 554.480794982751 0.51920501724851 12 0.695652173913043 1.04347826086957 -4 42.7774180555692 39 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +197987.269884 555.1368299 "C24H28O15" "O15" "CHO" 24 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.14410635216 555.13554377554 2.3125741067403 2.31 555 554.516959156372 0.483040843628487 11 0.625 1.16666666666667 -4 42.7802169405923 39 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +243715.930894 555.1524338 "C28H28O12" "O12" "CHO" 28 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.15971025216 555.15079990864 2.93780964336403 2.94 555 554.532545632918 0.467454367082496 15 0.428571428571429 1 3 42.7813904892923 40 0.9 58 0.5 556.1559147 38218.275534 0 0 0 0 "Unambiguous" +208715.878416 555.1733039 "C25H32O14" "O14" "CHO" 25 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.18058035216 555.17192928084 2.47153390195008 2.47 555 554.553392429177 0.446607570822721 10 0.56 1.28 -4 42.7830158256154 39 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +148787.241022 555.188563 "C29H32O11" "O11" "CHO" 29 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.19583945216 555.18718541394 2.47680036832556 2.48 555 554.56863449073 0.431365509269995 14 0.379310344827586 1.10344827586207 3 42.7841893743154 40 0.9 60 0.5 556.1917423 11130.876619 0 0 0 0 "Unambiguous" +182009.092374 555.209783 "C26H36O13" "O13" "CHO" 26 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.21705945216 555.20831478614 2.63964190785489 2.64 555 554.589830796288 0.410169203711575 9 0.5 1.38461538461538 -4 42.7858147106385 39 0.9 54 0.7 556.213297 3659.125869 0 0 0 0 "Unambiguous" +102134.874717 555.2251552 "C30H36O10" "O10" "CHO" 30 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.23243165216 555.22357091924 2.84823514403687 2.85 555 554.605185831553 0.394814168447397 13 0.333333333333333 1.2 3 42.7869882593385 40 0.9 62 0.6 556.2277165 9262.83993 0 0 0 0 "Unambiguous" +107579.242735 555.2459432 "C27H40O12" "O12" "CHO" 27 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.25321965216 555.24470029144 2.23442942189764 2.23 555 554.625950619486 0.374049380513952 8 0.444444444444444 1.48148148148148 -4 42.7886135956615 39 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +29299.886296 555.2610719 "C31H40O9" "O9" "CHO" 31 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.26834835216 555.25995642454 2.0052829956752 2.01 555 554.641062426645 0.358937573355433 12 0.290322580645161 1.29032258064516 3 42.7897871443615 40 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +2819.460221 555.2952413 "C32H44O8" "O8" "CHO" 32 44 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.30251775216 555.29634192984 -1.97847359090248 1.98 555 554.675193672787 0.324806327212741 11 0.25 1.375 3 42.7925860293846 40 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +24686.008807 555.3182501 "C29H48O10" "O10" "CHO" 29 48 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.32552655216 555.31747130204 1.39989614509442 1.4 555 554.698176780956 0.301823219044422 6 0.344827586206897 1.6551724137931 -4 42.7942113657077 39 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +13082.504209 555.3550748 "C30H52O9" "O9" "CHO" 30 52 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.36235125216 555.35385680734 2.18920755024104 2.19 555 554.734960362167 0.265039637833411 5 0.3 1.73333333333333 -4 42.7970102507308 39 0.9 62 0.8 0 0 0 0 0 0 "Unambiguous" +2168.855198 555.3910456 "C31H56O8" "O8" "CHO" 31 56 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 556.39832205216 555.39024231264 1.44372714321488 1.44 555 554.77089099685 0.229109003150143 4 0.258064516129032 1.80645161290323 -4 42.7998091357538 39 0.9 64 0.9 0 0 0 0 0 0 "Unambiguous" +10944.727081 557.0588704 "C25H18O15" "O15" "CHO" 25 18 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.06614685216 557.05729345654 2.82572857898196 2.83 557 556.436853488779 0.563146511221362 17 0.6 0.72 2 42.9280438391308 40 0.9 52 0.3 0 0 0 0 0 0 "Unambiguous" +23960.795443 557.0798248 "C22H22O17" "O17" "CHO" 22 22 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.08710125216 557.07842282874 2.51210117008643 2.51 557 556.457784490908 0.542215509091648 12 0.772727272727273 1 -5 42.9296691754538 39 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +149220.540935 557.0952502 "C26H22O14" "O14" "CHO" 26 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.10252665216 557.09367896184 2.81532171067765 2.82 557 556.473192666769 0.526807333231091 16 0.538461538461538 0.846153846153846 2 42.9308427241538 40 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +122944.19188 557.1162336 "C23H26O16" "O16" "CHO" 23 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.12351005216 557.11480833404 2.55367483051316 2.55 557 556.494152636517 0.505847363482985 11 0.695652173913043 1.1304347826087 -5 42.9324680604769 39 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +184732.122202 557.1524808 "C24H30O15" "O15" "CHO" 24 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.15975725216 557.15119383934 2.30572097568867 2.31 557 556.53035936257 0.469640637430302 10 0.625 1.25 -5 42.9352669455 39 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +178030.261942 557.1680348 "C28H30O12" "O12" "CHO" 28 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.17531125216 557.16644997244 2.83930071441884 2.84 557 556.545895994834 0.454104005165732 14 0.428571428571429 1.07142857142857 2 42.9364404942 40 0.9 58 0.5 558.1713428 17134.077199 0 0 0 0 "Unambiguous" +147339.731672 557.1886243 "C25H34O14" "O14" "CHO" 25 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.19590075216 557.18757934464 1.87202263333666 1.87 557 556.566462504415 0.433537495585256 9 0.56 1.36 -5 42.9380658305231 39 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +131543.257701 557.2252171 "C26H38O13" "O13" "CHO" 26 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.23249355216 557.22396484994 2.24324107694176 2.24 557 556.603014444567 0.396985555432707 8 0.5 1.46153846153846 -5 42.9408647155462 39 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +75010.352606 557.2617475 "C27H42O12" "O12" "CHO" 27 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.26902395216 557.26035035524 2.50263707998335 2.5 557 556.639504054396 0.360495945603702 7 0.444444444444444 1.55555555555556 -5 42.9436636005692 39 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +31810.368447 557.2980778 "C28H46O11" "O11" "CHO" 28 46 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.30535425216 557.29673586054 2.40359410803038 2.4 557 556.675793787659 0.32420621234121 6 0.392857142857143 1.64285714285714 -5 42.9464624855923 39 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +2937.468496 557.3134929 "C32H46O8" "O8" "CHO" 32 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.32076935216 557.31199199364 2.68825098846738 2.69 557 556.69119167502 0.308808324979623 10 0.25 1.4375 2 42.9476360342923 40 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +5219.900103 557.33357 "C29H50O10" "O10" "CHO" 29 50 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 558.34084645216 557.33312136584 0.803513056460583 0.8 557 556.711246356751 0.28875364324881 5 0.344827586206897 1.72413793103448 -5 42.9492613706154 39 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +207090.071623 559.1109968 "C26H24O14" "O14" "CHO" 26 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.11827325216 559.10932902564 2.97753963684639 2.98 559 558.486688466107 0.513311533892534 15 0.538461538461538 0.923076923076923 1 43.0858927290615 40 0.9 54 0.4 560.1145629 9693.47403 0 0 0 0 "Unambiguous" +98175.763108 559.131585 "C23H28O16" "O16" "CHO" 23 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.13886145216 559.13045839784 2.0112908378398 2.01 559 558.507253677139 0.492746322860626 10 0.695652173913043 1.21739130434783 -6 43.0875180653846 39 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +264576.468734 559.1469473 "C27H28O13" "O13" "CHO" 27 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.15422375216 559.14571453094 2.20076723117614 2.2 559 558.522598823458 0.477401176542003 14 0.481481481481481 1.03703703703704 1 43.0886916140846 40 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +129695.079558 559.1679839 "C24H32O15" "O15" "CHO" 24 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.17526035216 559.16684390314 2.03507177259222 2.04 559 558.543611933802 0.456388066197519 9 0.625 1.33333333333333 -6 43.0903169504077 39 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +190356.738443 559.1836703 "C28H32O12" "O12" "CHO" 28 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.19094675216 559.18210003624 2.80308664246807 2.8 559 558.559280818228 0.440719181771783 13 0.428571428571429 1.14285714285714 1 43.0914904991077 40 0.9 58 0.6 560.1866802 17614.563359 0 0 0 0 "Unambiguous" +128254.973932 559.2044172 "C25H36O14" "O14" "CHO" 25 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.21169365216 559.20322940844 2.12025484917051 2.12 559 558.580004552054 0.41999544794578 8 0.56 1.44 -6 43.0931158354308 39 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +158087.755891 559.2201007 "C29H36O11" "O11" "CHO" 29 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.22737715216 559.21848554154 2.88304093283876 2.88 559 558.595670539718 0.404329460281929 12 0.379310344827586 1.24137931034483 1 43.0942893841308 40 0.9 60 0.6 560.2237864 9585.849645 0 0 0 0 "Unambiguous" +70372.011952 559.2405137 "C26H40O13" "O13" "CHO" 26 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.24779015216 559.23961491374 1.60426560495861 1.6 559 558.61606074638 0.383939253620156 7 0.5 1.53846153846154 -6 43.0959147204538 39 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +81452.990174 559.2560454 "C30H40O10" "O10" "CHO" 30 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.26332185216 559.25487104684 2.09607360354317 2.1 559 558.631575103545 0.368424896455167 11 0.333333333333333 1.33333333333333 1 43.0970882691538 40 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +23640.416297 559.2764823 "C27H44O12" "O12" "CHO" 27 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.28375875216 559.27600041904 0.860065908562114 0.86 559 558.65198918352 0.348010816480155 6 0.444444444444444 1.62962962962963 -6 43.0987136054769 39 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +17683.088963 559.2925229 "C31H44O9" "O9" "CHO" 31 44 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 560.29979935216 559.29125655214 2.26012549256725 2.26 559 558.668011872443 0.331988127557452 10 0.290322580645161 1.41935483870968 1 43.0998871541769 40 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +5004.324621 561.0744986 "C21H22O18" "O18" "CHO" 21 22 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.08177505216 561.07333745104 2.06580076344759 2.07 561 560.447997802456 0.552002197543516 11 0.857142857142857 1.04761904761905 -7 43.2369703002461 39 0.9 44 0.5 0 0 0 0 0 0 "Unambiguous" +126882.115983 561.0901669 "C25H22O15" "O15" "CHO" 25 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.09744335216 561.08859358414 2.79900910175194 2.8 561 560.463648607093 0.53635139290725 15 0.6 0.88 0 43.2381438489462 40 0.9 52 0.4 0 0 0 0 0 0 "Unambiguous" +21705.072415 561.1054406 "C29H22O12" "O12" "CHO" 29 22 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.11271705216 561.10384971724 2.83018460834499 2.83 561 560.478905252343 0.521094747657116 19 0.413793103448276 0.758620689655172 7 43.2393173976462 41 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +32862.599403 561.1108012 "C22H26O17" "O17" "CHO" 22 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.11807765216 561.10972295634 1.91818001013907 1.92 561 560.484259866649 0.51574013335096 10 0.772727272727273 1.18181818181818 -7 43.2397691852692 39 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +223668.045706 561.1264477 "C26H26O14" "O14" "CHO" 26 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.13372415216 561.12497908944 2.61256440751209 2.61 561 560.499888895627 0.50011110437265 14 0.538461538461538 1 0 43.2409427339692 40 0.9 54 0.5 562.1300094 17774.470981 0 0 0 0 "Unambiguous" +5445.138396 561.1413344 "C30H26O11" "O11" "CHO" 30 26 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.14861085216 561.14023522254 1.95531473132222 1.96 561 560.514758973005 0.4852410269948 18 0.366666666666667 0.866666666666667 7 43.2421162826692 41 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +68530.789812 561.1470133 "C23H30O16" "O16" "CHO" 23 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.15428975216 561.14610846164 1.60959077701227 1.61 561 560.520431531895 0.479568468105299 9 0.695652173913043 1.30434782608696 -7 43.2425680702923 39 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +61137.804085 561.1833876 "C24H34O15" "O15" "CHO" 24 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.19066405216 561.18249396694 1.58955514042915 1.59 561 560.556765216026 0.443234783973708 8 0.625 1.41666666666667 -7 43.2453669553154 39 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +221250.849633 561.1994371 "C28H34O12" "O12" "CHO" 28 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.20671355216 561.19775010004 3.00067558651248 3 561 560.572796795011 0.427203204988814 12 0.428571428571429 1.21428571428571 0 43.2465405040154 40 0.9 58 0.6 562.2025779 12228.37543 0 0 0 0 "Unambiguous" +22665.66085 561.2197831 "C25H38O14" "O14" "CHO" 25 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.22705955216 561.21887947224 1.60722922278631 1.61 561 560.593120076486 0.406879923514111 7 0.56 1.52 -7 43.2481658403385 39 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +157446.895178 561.2356402 "C29H38O11" "O11" "CHO" 29 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.24291665216 561.23413560534 2.67605800898996 2.68 561 560.608959470306 0.391040529693555 11 0.379310344827586 1.31034482758621 0 43.2493393890385 40 0.9 60 0.6 562.2389374 14210.915324 0 0 0 0 "Unambiguous" +2269.333517 561.2569092 "C26H42O13" "O13" "CHO" 26 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.26418565216 561.25526497754 2.92428808739656 2.92 561 560.630204721151 0.369795278848983 6 0.5 1.61538461538462 -7 43.2509647253615 39 0.9 54 0.8 0 0 0 0 0 0 "Unambiguous" +44577.050193 561.2716662 "C30H42O10" "O10" "CHO" 30 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 562.27894265216 561.27052111064 2.03651474956246 2.04 561 560.644945243353 0.355054756647064 10 0.333333333333333 1.4 0 43.2521382740615 40 0.9 62 0.7 562.2753704 4772.591302 0 0 0 0 "Unambiguous" +182027.862478 563.1058705 "C25H24O15" "O15" "CHO" 25 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.11314695216 563.10424364794 2.88391091179994 2.88 563 562.477101454446 0.522898545554426 14 0.6 0.96 -1 43.3931938538539 40 0.9 52 0.5 564.1090542 3150.2686 0 0 0 0 "Unambiguous" +22425.325933 563.1262394 "C22H28O17" "O17" "CHO" 22 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.13351585216 563.12537302014 1.53577094010587 1.54 563 562.49744761035 0.502552389650191 9 0.772727272727273 1.27272727272727 -8 43.3948191901769 39 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +244221.684598 563.1422154 "C26H28O14" "O14" "CHO" 26 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.14949185216 563.14062915324 2.81174898321792 2.81 563 562.513405771406 0.486594228594413 13 0.538461538461538 1.07692307692308 -1 43.3959927388769 40 0.9 54 0.5 564.1457059 7985.505284 0 0 0 0 "Unambiguous" +23374.686922 563.1622192 "C23H32O16" "O16" "CHO" 23 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.16949565216 563.16175852544 0.816553471220151 0.82 563 562.533387234984 0.466612765016293 8 0.695652173913043 1.39130434782609 -8 43.3976180752 39 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +235265.840768 563.1784456 "C27H32O13" "O13" "CHO" 27 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.18572205216 563.17701465854 2.53629506052125 2.54 563 562.549595516441 0.450404483559396 12 0.481481481481481 1.18518518518519 -1 43.3987916239 40 0.9 56 0.6 564.181649 16904.410311 0 0 0 0 "Unambiguous" +12873.473665 563.1938868 "C31H32O10" "O10" "CHO" 31 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.20116325216 563.19227079164 2.86424145363217 2.86 563 562.565019474659 0.434980525341416 16 0.32258064516129 1.03225806451613 6 43.3999651726 41 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +9970.172701 563.1987917 "C24H36O15" "O15" "CHO" 24 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.20606815216 563.19814403074 1.14793033362511 1.15 563 562.569918897804 0.430081102196482 7 0.625 1.5 -8 43.4004169602231 39 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +203119.857687 563.2150013 "C28H36O12" "O12" "CHO" 28 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.22227775216 563.21340016384 2.83777550653709 2.84 563 562.586110398019 0.4138896019806 11 0.428571428571429 1.28571428571429 -1 43.4015905089231 40 0.9 58 0.6 564.2185774 24204.650837 0 0 0 0 "Unambiguous" +138057.609545 563.2512243 "C29H40O11" "O11" "CHO" 29 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 564.25850075216 563.24978566914 2.54959536819017 2.55 563 562.622292951094 0.377707048906132 10 0.379310344827586 1.37931034482759 -1 43.4043893939462 40 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +91270.367808 565.0851391 "C24H22O16" "O16" "CHO" 24 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.09241555216 565.08350820644 2.88096698557629 2.88 565 564.454159985445 0.54584001455521 14 0.666666666666667 0.916666666666667 -2 43.5454449737385 40 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +54997.901647 565.1362427 "C29H26O12" "O12" "CHO" 29 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.14351915216 565.13514984484 1.93035003141683 1.93 565 564.505206522709 0.49479347729141 17 0.413793103448276 0.896551724137931 5 43.5494174074615 41 0.9 60 0.4 566.1392077 3453.265339 0 0 0 0 "Unambiguous" +216367.554529 565.1578635 "C26H30O14" "O14" "CHO" 26 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.16513995216 565.15627921704 2.79827005961361 2.8 565 564.52680318073 0.473196819269901 12 0.538461538461538 1.15384615384615 -2 43.5510427437846 40 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +56517.394468 565.1730677 "C30H30O11" "O11" "CHO" 30 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.18034415216 565.17153535014 2.70646954775544 2.71 565 564.541990403585 0.458009596415422 16 0.366666666666667 1 5 43.5522162924846 41 0.9 62 0.5 566.1759964 4291.620983 0 0 0 0 "Unambiguous" +3355.425674 565.1782594 "C23H34O16" "O16" "CHO" 23 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.18553585216 565.17740858924 1.50270663253594 1.5 565 564.547176306486 0.452823693514006 7 0.695652173913043 1.47826086956522 -9 43.5526680801077 39 0.9 48 0.7 0 0 0 0 0 0 "Unambiguous" +213002.257346 565.1941561 "C27H34O13" "O13" "CHO" 27 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.20143255216 565.19266472234 2.63400545139749 2.63 565 564.563055256089 0.43694474391134 11 0.481481481481481 1.25925925925926 -2 43.5538416288077 40 0.9 56 0.6 566.1978208 6381.201549 0 0 0 0 "Unambiguous" +15559.007533 565.2093936 "C31H34O10" "O10" "CHO" 31 34 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.21667005216 565.20792085544 2.60102649379293 2.6 565 564.57827574176 0.421724258239919 15 0.32258064516129 1.09677419354839 5 43.5550151775077 41 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +159079.401299 565.2307331 "C28H38O12" "O12" "CHO" 28 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.23800955216 565.22905022764 2.97202295077976 2.97 565 564.599591413884 0.400408586116328 10 0.428571428571429 1.35714285714286 -2 43.5566405138308 40 0.9 58 0.7 566.234108 15102.16262 0 0 0 0 "Unambiguous" +4612.402835 565.2442509 "C32H38O9" "O9" "CHO" 32 38 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.25152735216 565.24430636074 -0.0979436474911436 0.1 565 564.613094119788 0.386905880212453 14 0.28125 1.1875 5 43.5578140625308 41 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +102247.046843 565.2667441 "C29H42O11" "O11" "CHO" 29 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 566.27402055216 565.26543573294 2.31048399276663 2.31 565 564.635562203679 0.364437796320544 9 0.379310344827586 1.44827586206897 -2 43.5594393988538 40 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +25866.889652 567.0796879 "C27H20O14" "O14" "CHO" 27 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.08696435216 567.07802889804 2.92033097761859 2.92 567 566.446481654436 0.553518345563816 18 0.518518518518518 0.740740740740741 4 43.6988696423231 41 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +132509.999012 567.1003166 "C24H24O16" "O16" "CHO" 24 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.10759305216 567.09915827024 2.03892673542797 2.04 567 566.467087320246 0.532912679754418 13 0.666666666666667 1 -3 43.7004949786461 40 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +109081.159547 567.1160161 "C28H24O13" "O13" "CHO" 28 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.12329255216 567.11441440334 2.81927652153919 2.82 567 566.482769290044 0.51723070995638 17 0.464285714285714 0.857142857142857 4 43.7016685273462 41 0.9 58 0.4 568.1196768 5267.340377 0 0 0 0 "Unambiguous" +200823.892505 567.1370737 "C25H28O15" "O15" "CHO" 25 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.14435015216 567.13554377554 2.69284462580258 2.69 567 566.503803376939 0.496196623060655 12 0.6 1.12 -3 43.7032938636692 40 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +181668.903428 567.1733847 "C26H32O14" "O14" "CHO" 26 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.18066115216 567.17192928084 2.56154293792209 2.56 567 566.540073831752 0.459926168247648 11 0.538461538461538 1.23076923076923 -3 43.7060927486923 40 0.9 54 0.6 568.1771935 6081.230883 0 0 0 0 "Unambiguous" +173834.362702 567.2092631 "C27H36O13" "O13" "CHO" 27 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.21653955216 567.20831478614 1.66893040594896 1.67 567 566.57591216961 0.424087830389567 10 0.481481481481481 1.33333333333333 -3 43.7088916337154 40 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +117692.145307 567.2457189 "C28H40O12" "O12" "CHO" 28 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.25299535216 567.24470029144 1.79252651254626 1.79 567 566.612327262738 0.387672737261596 9 0.428571428571429 1.42857142857143 -3 43.7116905187385 40 0.9 58 0.7 568.2494847 4293.168347 0 0 0 0 "Unambiguous" +6795.891845 567.2612914 "C32H40O9" "O9" "CHO" 32 40 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.26856785216 567.25995642454 2.34919813528668 2.35 567 566.627882374346 0.372117625654255 13 0.28125 1.25 4 43.7128640674385 41 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +57157.094039 567.2819545 "C29H44O11" "O11" "CHO" 29 44 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 568.28923095216 567.28108579674 1.52862875558982 1.53 567 566.648522401744 0.351477598256224 8 0.379310344827586 1.51724137931034 -3 43.7144894037615 40 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +15127.996696 569.0800386 "C23H22O17" "O17" "CHO" 23 22 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.08731505216 569.07842282874 2.83425225818439 2.83 569 568.444598744974 0.555401255025686 13 0.739130434782609 0.956521739130435 -4 43.8527460985308 40 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +91224.546926 569.095346 "C27H22O14" "O14" "CHO" 27 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.10262245216 569.09367896184 2.92410189736988 2.92 569 568.459889052595 0.54011094740531 17 0.518518518518518 0.814814814814815 3 43.8539196472308 41 0.9 56 0.4 570.0987218 5970.440834 0 0 0 0 "Unambiguous" +138897.274953 569.1162937 "C24H26O16" "O16" "CHO" 24 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.12357015216 569.11480833404 2.60534038188065 2.61 569 568.480813362206 0.519186637794178 12 0.666666666666667 1.08333333333333 -4 43.8555449835538 40 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +153849.843827 569.1315051 "C28H26O13" "O13" "CHO" 28 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.13878155216 569.13006446714 2.52681085146517 2.53 569 568.496007777021 0.503992222979264 16 0.464285714285714 0.928571428571429 3 43.8567185322538 41 0.9 58 0.4 570.134639 12662.929005 0 0 0 0 "Unambiguous" +173705.323544 569.1528889 "C25H30O15" "O15" "CHO" 25 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.16016535216 569.15119383934 2.9729552554647 2.97 569 568.517367699679 0.482632300321484 11 0.6 1.2 -4 43.8583438685769 40 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +154100.473196 569.1887742 "C26H34O14" "O14" "CHO" 26 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.19605065216 569.18757934464 2.09551672389502 2.1 569 568.553212929832 0.446787070168057 10 0.538461538461538 1.30769230769231 -4 43.8611427536 40 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +111856.830782 569.20398 "C30H34O11" "O11" "CHO" 30 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.21125645216 569.20283547774 2.00718987402517 2.01 569 568.5684017509 0.431598249100148 14 0.366666666666667 1.13333333333333 3 43.8623163023 41 0.9 62 0.5 570.2082142 9164.364488 0 0 0 0 "Unambiguous" +128377.973362 569.2253493 "C27H38O13" "O13" "CHO" 27 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.23262575216 569.22396484994 2.42786890373514 2.43 569 568.589747189749 0.41025281025145 9 0.481481481481481 1.40740740740741 -4 43.8639416386231 40 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +67377.480291 569.2406747 "C31H38O10" "O10" "CHO" 31 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.24795115216 569.23922098304 2.54927169321525 2.55 569 568.60505547727 0.394944522729929 13 0.32258064516129 1.2258064516129 3 43.8651151873231 41 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +82233.587094 569.2616613 "C28H42O12" "O12" "CHO" 28 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.26893775216 569.26035035524 2.29881845778702 2.3 569 568.626018643445 0.373981356554964 8 0.428571428571429 1.5 -4 43.8667405236462 40 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +24602.999741 569.2976721 "C29H46O11" "O11" "CHO" 29 46 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.30494855216 569.29673586054 1.64164709135284 1.64 569 568.661989233464 0.338010766536058 7 0.379310344827586 1.58620689655172 -4 43.8695394086692 40 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +5089.282953 569.333782 "C30H50O10" "O10" "CHO" 30 50 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 570.34105845216 569.33312136584 1.15831422325728 1.16 569 568.698058812827 0.301941187172929 6 0.333333333333333 1.66666666666667 -4 43.8723382936923 40 0.9 62 0.8 0 0 0 0 0 0 "Unambiguous" +116626.606063 571.1107871 "C27H24O14" "O14" "CHO" 27 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.11806355216 571.10932902564 2.54855501496221 2.55 571 570.473079693057 0.526920306942543 16 0.518518518518518 0.888888888888889 2 44.0089696521385 41 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +111064.904799 571.1318997 "C24H28O16" "O16" "CHO" 24 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.13917615216 571.13045839784 2.51914607498112 2.52 571 570.49416871854 0.505831281460473 11 0.666666666666667 1.16666666666667 -5 44.0105949884615 40 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +172670.646384 571.1470503 "C28H28O13" "O13" "CHO" 28 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.15432675216 571.14571453094 2.33463070654762 2.33 571 570.509302401244 0.490697598755673 15 0.464285714285714 1 2 44.0117685371615 41 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +149559.366701 571.1680542 "C25H32O15" "O15" "CHO" 25 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.17533065216 571.16684390314 2.11525522907278 2.12 571 570.530282848102 0.469717151898067 10 0.6 1.28 -5 44.0133938734846 40 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +138869.940688 571.1834542 "C29H32O12" "O12" "CHO" 29 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.19073065216 571.18210003624 2.36663001957472 2.37 571 570.545665652324 0.454334347675626 14 0.413793103448276 1.10344827586207 2 44.0145674221846 41 0.9 60 0.5 572.1865288 6548.517342 0 0 0 0 "Unambiguous" +93162.672556 571.2046848 "C26H36O14" "O14" "CHO" 26 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.21196125216 571.20322940844 2.54344833490102 2.54 571 570.566872546047 0.433127453953261 9 0.538461538461538 1.38461538461538 -5 44.0161927585077 40 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +117602.400907 571.2199083 "C30H36O11" "O11" "CHO" 30 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.22718475216 571.21848554154 2.48635244530815 2.49 571 570.582079047351 0.417920952649297 13 0.366666666666667 1.2 2 44.0173663072077 41 0.9 62 0.6 572.222209 3571.855512 0 0 0 0 "Unambiguous" +58861.538562 571.2409191 "C27H40O13" "O13" "CHO" 27 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.24819555216 571.23961491374 2.27905700747098 2.28 571 570.603066386504 0.396933613496344 8 0.481481481481481 1.48148148148148 -5 44.0189916435308 40 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +21250.224825 571.2773139 "C28H44O12" "O12" "CHO" 28 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.28459035216 571.27600041904 2.29515346409209 2.3 571 570.639420547745 0.360579452255251 7 0.428571428571429 1.57142857142857 -5 44.0217905285538 40 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +5491.051369 571.3136356 "C29H48O11" "O11" "CHO" 29 48 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 572.32091205216 571.31238592434 2.18352262461429 2.18 571 570.67570169061 0.32429830938986 6 0.379310344827586 1.6551724137931 -5 44.0245894135769 40 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +3866.232659 573.05303 "C25H18O16" "O16" "CHO" 25 18 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.06030645216 573.05220807884 1.43176797079285 1.43 573 572.413153867284 0.586846132715891 17 0.64 0.72 1 44.158421887 41 0.9 52 0.3 0 0 0 0 0 0 "Unambiguous" +175742.71184 573.1264263 "C27H26O14" "O14" "CHO" 27 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.13370275216 573.12497908944 2.52068560532432 2.52 573 572.48646821232 0.513531787680222 15 0.518518518518518 0.962962962962963 1 44.1640196570462 41 0.9 56 0.5 574.1299305 15869.176087 0 0 0 0 "Unambiguous" +93009.621033 573.147036 "C24H30O16" "O16" "CHO" 24 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.15431245216 573.14610846164 1.61548618526063 1.62 573 572.507054899345 0.492945100655447 10 0.666666666666667 1.25 -6 44.1656449933692 40 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +104221.570308 573.1837971 "C25H34O15" "O15" "CHO" 25 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.19107355216 573.18249396694 2.26951117844772 2.27 573 572.543774951572 0.456225048427996 9 0.6 1.36 -6 44.1684438783923 40 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +173522.40215 573.1991883 "C29H34O12" "O12" "CHO" 29 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.20646475216 573.19775010004 2.50467392515626 2.5 573 572.55914896562 0.440851034379534 13 0.413793103448276 1.17241379310345 1 44.1696174270923 41 0.9 60 0.6 574.2020852 11375.329422 0 0 0 0 "Unambiguous" +56905.88015 573.2202626 "C26H38O14" "O14" "CHO" 26 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.22753905216 573.21887947224 2.40867542197572 2.41 573 572.580199733869 0.419800266131119 8 0.538461538461538 1.46153846153846 -6 44.1712427634154 40 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +87996.74865 573.2354115 "C30H38O11" "O11" "CHO" 30 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.24268795216 573.23413560534 2.22187358567033 2.22 573 572.595331718472 0.404668281528075 12 0.366666666666667 1.26666666666667 1 44.1724163121154 41 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +25112.614716 573.2565115 "C27H42O13" "O13" "CHO" 27 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.26378795216 573.25526497754 2.17064437322395 2.17 573 572.616408158023 0.383591841976681 7 0.481481481481481 1.55555555555556 -6 44.1740416484385 40 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +31981.390077 573.2711668 "C31H42O10" "O10" "CHO" 31 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.27844325216 573.27052111064 1.12434894185181 1.12 573 572.631047093784 0.368952906215668 11 0.32258064516129 1.35483870967742 1 44.1752151971385 41 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +2479.563145 573.2916845 "C28H46O12" "O12" "CHO" 28 46 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.29896095216 573.29165048284 0.0592324944771253 0.06 573 572.651541883537 0.348458116462666 6 0.428571428571429 1.64285714285714 -6 44.1768405334615 40 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +2808.202791 573.3082293 "C32H46O9" "O9" "CHO" 32 46 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 574.31550575216 573.30690661594 2.30306172614294 2.3 573 572.668068209466 0.331931790534213 10 0.28125 1.4375 1 44.1780140821615 41 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +21207.836792 575.0686759 "C25H20O16" "O16" "CHO" 25 20 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.07595235216 575.06785814264 1.41953045712703 1.42 575 574.426549079065 0.573450920934874 16 0.64 0.8 0 44.3134718919077 41 0.9 52 0.4 0 0 0 0 0 0 "Unambiguous" +3588.039884 575.0833291 "C29H20O13" "O13" "CHO" 29 20 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.09060555216 575.08311427574 0.372900126968922 0.37 575 574.441185917171 0.558814082828803 20 0.448275862068966 0.689655172413793 7 44.3146454406077 42 0.9 60 0.3 0 0 0 0 0 0 "Unambiguous" +4171.712202 575.0902273 "C22H24O18" "O18" "CHO" 22 24 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.09750375216 575.08898751484 2.15204050017362 2.15 575 574.448076414579 0.551923585420582 11 0.818181818181818 1.09090909090909 -7 44.3150972282308 40 0.9 46 0.5 0 0 0 0 0 0 "Unambiguous" +126495.558017 575.105708 "C26H24O15" "O15" "CHO" 26 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.11298445216 575.10424364794 2.54177930287407 2.54 575 574.463539828692 0.536460171308477 15 0.576923076923077 0.923076923076923 0 44.3162707769308 41 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +3016.548389 575.1181306 "C30H24O12" "O12" "CHO" 30 24 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.12540705216 575.11949978104 -2.37653299651572 2.38 575 574.475948557505 0.524051442494738 19 0.4 0.8 7 44.3174443256308 42 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +43969.513644 575.1626237 "C24H32O16" "O16" "CHO" 24 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.16990015216 575.16175852544 1.50159624767203 1.5 575 574.520391976112 0.479608023887522 9 0.666666666666667 1.33333333333333 -7 44.3206949982769 40 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +203674.471233 575.1787246 "C28H32O13" "O13" "CHO" 28 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.18600105216 575.17701465854 2.96769004611834 2.97 575 574.536474897704 0.46352510229633 13 0.464285714285714 1.14285714285714 0 44.3218685469769 41 0.9 58 0.6 576.1822859 19436.878372 0 0 0 0 "Unambiguous" +5694.384731 575.1933366 "C32H32O10" "O10" "CHO" 32 32 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.20061305216 575.19227079164 1.8497175043048 1.85 575 574.551070581814 0.44892941818614 17 0.3125 1 7 44.3230420956769 42 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +37128.101081 575.1989857 "C25H36O15" "O15" "CHO" 25 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.20626215216 575.19814403074 1.4607082832951 1.46 575 574.556713373978 0.443286626021631 8 0.6 1.44 -7 44.3234938833 40 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +10398.709574 575.2353643 "C26H40O14" "O14" "CHO" 26 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.24264075216 575.23452953604 1.44863274772445 1.45 575 574.593051353309 0.406948646691376 7 0.538461538461538 1.53846153846154 -7 44.3262927683231 40 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +77635.491857 575.2514757 "C30H40O11" "O11" "CHO" 30 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 576.25875215216 575.24978566914 2.93276389068716 2.93 575 574.609144763175 0.390855236824564 11 0.366666666666667 1.33333333333333 0 44.3274663170231 41 0.9 62 0.6 576.2544882 3613.701982 0 0 0 0 "Unambiguous" +11263.33303 577.1000075 "C29H22O13" "O13" "CHO" 29 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.10728395216 577.09876433954 2.15039750307718 2.15 577 576.455612476053 0.544387523946511 19 0.448275862068966 0.758620689655172 6 44.4696954455154 42 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +8727.462999 577.1060983 "C22H26O18" "O18" "CHO" 22 26 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.11337475216 577.10463757864 2.5267039715461 2.53 577 576.461696475012 0.538303524988237 10 0.818181818181818 1.18181818181818 -8 44.4701472331385 40 0.9 46 0.6 0 0 0 0 0 0 "Unambiguous" +176323.370036 577.1212473 "C26H26O15" "O15" "CHO" 26 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.12852375216 577.11989371174 2.34132758447172 2.34 577 576.476828559503 0.523171440496867 14 0.576923076923077 1 -1 44.4713207818385 41 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +20946.816163 577.1347639 "C30H26O12" "O12" "CHO" 30 26 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.14204035216 577.13514984484 -0.667560587283503 0.67 577 576.490330066747 0.509669933253122 18 0.4 0.866666666666667 6 44.4724943305385 42 0.9 62 0.4 578.1380453 11354.962864 0 0 0 0 "Unambiguous" +6329.626665 577.1426605 "C23H30O17" "O17" "CHO" 23 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.14993695216 577.14102308394 2.83216507581538 2.83 577 576.498217849333 0.501782150667282 9 0.739130434782609 1.30434782608696 -8 44.4729461181615 40 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +188838.091133 577.1577583 "C27H30O14" "O14" "CHO" 27 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.16503475216 577.15627921704 2.55823661240923 2.56 577 576.513298790994 0.486701209005673 13 0.518518518518518 1.11111111111111 -1 44.4741196668615 41 0.9 56 0.5 578.1612448 10384.344006 0 0 0 0 "Unambiguous" +8141.155721 577.1700644 "C31H30O11" "O11" "CHO" 31 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.17734085216 577.17153535014 -2.54411585533994 2.54 577 576.525591149893 0.474408850106897 17 0.354838709677419 0.967741935483871 6 44.4752932155615 42 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +8732.443574 577.1791195 "C24H34O16" "O16" "CHO" 24 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.18639595216 577.17740858924 2.95909895477188 2.96 577 576.534636138888 0.465363861112451 8 0.666666666666667 1.41666666666667 -8 44.4757450031846 40 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +162740.411212 577.1940996 "C28H34O13" "O13" "CHO" 28 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.20137605216 577.19266472234 2.48162269986389 2.48 577 576.549599511974 0.450400488025934 12 0.464285714285714 1.21428571428571 -1 44.4769185518846 41 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +3150.288034 577.214311 "C25H38O15" "O15" "CHO" 25 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.22158745216 577.21379409454 0.8939573878266 0.89 577 576.569788343744 0.430211656255779 7 0.6 1.52 -8 44.4785438882077 40 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +145224.510019 577.230045 "C29H38O12" "O12" "CHO" 29 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.23732145216 577.22905022764 1.72035308540917 1.72 577 576.585504775019 0.414495224980669 11 0.413793103448276 1.31034482758621 -1 44.4797174369077 41 0.9 60 0.6 578.2339134 13577.398253 0 0 0 0 "Unambiguous" +73588.168933 577.2668306 "C30H42O11" "O11" "CHO" 30 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.27410705216 577.26543573294 2.41212090090241 2.41 577 576.62224929989 0.377750700110255 10 0.366666666666667 1.4 -1 44.4825163219308 41 0.9 62 0.7 578.2691127 2725.448394 0 0 0 0 "Unambiguous" +5591.46833 577.3027195 "C31H46O10" "O10" "CHO" 31 46 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 578.30999595216 577.30182123824 1.55325304120392 1.55 577 576.658098126023 0.341901873976667 9 0.32258064516129 1.48387096774194 -1 44.4853152069538 41 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +6554.777705 579.0790383 "C28H20O14" "O14" "CHO" 28 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.08631475216 579.07802889804 1.74008924936613 1.74 579 578.432433472582 0.567566527417625 19 0.5 0.714285714285714 5 44.6219465654 42 0.9 58 0.3 0 0 0 0 0 0 "Unambiguous" +92442.521968 579.1003904 "C25H24O16" "O16" "CHO" 25 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.10766685216 579.09915827024 2.12396737790963 2.12 579 578.453761730637 0.54623826936313 14 0.64 0.96 -2 44.6235719017231 41 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +161202.98403 579.1370192 "C26H28O15" "O15" "CHO" 26 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.14429565216 579.13554377554 2.54320256378548 2.54 579 578.490349630592 0.509650369408405 13 0.576923076923077 1.07692307692308 -2 44.6263707867462 41 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +46867.502998 579.1520855 "C30H28O12" "O12" "CHO" 30 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.15936195216 579.15079990864 2.215927974793 2.22 579 578.505399107426 0.494600892573658 17 0.4 0.933333333333333 5 44.6275443354462 42 0.9 62 0.5 580.1546807 10092.544742 0 0 0 0 "Unambiguous" +174483.529312 579.1735119 "C27H32O14" "O14" "CHO" 27 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.18078835216 579.17192928084 2.72780345672062 2.73 579 578.526801582517 0.473198417483331 12 0.518518518518518 1.18518518518519 -2 44.6291696717692 41 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +33248.11636 579.1888026 "C31H32O11" "O11" "CHO" 31 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.19607905216 579.18718541394 2.7873095292964 2.79 579 578.542075208784 0.457924791215532 16 0.354838709677419 1.03225806451613 5 44.6303432204692 42 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +169734.8154 579.2099658 "C28H36O13" "O13" "CHO" 28 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.21724225216 579.20831478614 2.84550981893082 2.85 579 578.563214777766 0.436785222233766 11 0.464285714285714 1.28571428571429 -2 44.6319685567923 41 0.9 58 0.6 580.2136999 14049.848455 0 0 0 0 "Unambiguous" +119795.428356 579.2460431 "C29H40O12" "O12" "CHO" 29 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.25331955216 579.24470029144 2.31417643753943 2.31 579 578.599251793531 0.400748206469302 10 0.413793103448276 1.37931034482759 -2 44.6347674418154 41 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +2713.081947 579.3188083 "C31H48O10" "O10" "CHO" 31 48 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 580.32608475216 579.31747130204 2.30387362410115 2.3 579 578.671935743258 0.328064256741641 8 0.32258064516129 1.54838709677419 -2 44.6403652118615 41 0.9 64 0.8 0 0 0 0 0 0 "Unambiguous" +7007.999527 581.0795971 "C24H22O17" "O17" "CHO" 24 22 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.08687355216 581.07842282874 2.01734708930572 2.02 581 580.430758430754 0.569241569245833 14 0.708333333333333 0.916666666666667 -3 44.7758230216077 41 0.9 50 0.4 0 0 0 0 0 0 "Unambiguous" +109546.701367 581.1162579 "C25H26O16" "O16" "CHO" 25 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.12353435216 581.11480833404 2.49013460968345 2.49 581 580.467378294977 0.532621705022621 13 0.64 1.04 -3 44.7786219066308 41 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +141869.985096 581.1522668 "C26H30O15" "O15" "CHO" 26 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.15954325216 581.15119383934 1.84306977784734 1.84 581 580.503346987118 0.496653012882007 12 0.576923076923077 1.15384615384615 -3 44.7814207916538 41 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +72260.325813 581.1679935 "C30H30O12" "O12" "CHO" 30 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.17526995216 581.16644997244 2.6513107643945 2.65 581 580.519056126544 0.480943873455772 16 0.4 1 4 44.7825943403538 42 0.9 62 0.5 582.1711225 4628.314569 0 0 0 0 "Unambiguous" +152737.942399 581.1890602 "C27H34O14" "O14" "CHO" 27 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.19633665216 581.18757934464 2.54356694945212 2.54 581 580.540099303279 0.459900696721206 11 0.518518518518518 1.25925925925926 -3 44.7842196766769 41 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +58012.332057 581.2045036 "C31H34O11" "O11" "CHO" 31 34 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.21178005216 581.20283547774 2.86514687113996 2.87 581 580.55552545904 0.444474540959618 15 0.354838709677419 1.09677419354839 4 44.7853932253769 42 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +133856.241635 581.2252003 "C28H38O13" "O13" "CHO" 28 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.23247675216 581.22396484994 2.12191883710385 2.12 581 580.57619904892 0.423800951079784 10 0.464285714285714 1.35714285714286 -3 44.7870185617 41 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +5990.11204 581.2403478 "C32H38O10" "O10" "CHO" 32 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.24762425216 581.23922098304 1.93528820564774 1.94 581 580.591329635086 0.408670364913519 14 0.3125 1.1875 4 44.7881921104 42 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +71319.950545 581.26174 "C29H42O12" "O12" "CHO" 29 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 582.26901645216 581.26035035524 2.38660261968231 2.39 581 580.612697948365 0.387302051635174 9 0.413793103448276 1.44827586206897 -3 44.7898174467231 41 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +8544.775423 583.0742878 "C27H20O15" "O15" "CHO" 27 20 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.08156425216 583.07294352034 2.30152729044944 2.3 583 582.423221841299 0.576778158701245 18 0.555555555555556 0.740740740740741 3 44.9292476901923 42 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +75985.969844 583.110887 "C28H24O14" "O14" "CHO" 28 24 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.11816345216 583.10932902564 2.66722464307204 2.67 583 582.459780174305 0.540219825694862 17 0.5 0.857142857142857 3 44.9320465752154 42 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +137460.910975 583.1317889 "C25H28O16" "O16" "CHO" 25 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.13906535216 583.13045839784 2.27771474097299 2.28 583 582.480658735057 0.51934126494325 12 0.64 1.12 -4 44.9336719115385 41 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +115585.296889 583.1683194 "C26H32O15" "O15" "CHO" 26 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.17559585216 583.16684390314 2.52577627434163 2.53 583 582.517148444774 0.482851555225807 11 0.576923076923077 1.23076923076923 -4 44.9364707965615 41 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +107827.104623 583.1834963 "C30H32O12" "O12" "CHO" 30 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.19077275216 583.18210003624 2.39008184514657 2.39 583 582.532308398112 0.467691601887964 15 0.4 1.06666666666667 3 44.9376443452615 42 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +146694.953126 583.2045213 "C27H36O14" "O14" "CHO" 27 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.21179775216 583.20322940844 2.21134110102344 2.21 583 582.553309921409 0.446690078590791 10 0.518518518518518 1.33333333333333 -4 44.9392696815846 41 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +47408.699257 583.2198255 "C31H36O11" "O11" "CHO" 31 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.22710195216 583.21848554154 2.29355751473426 2.29 583 582.568597032603 0.431402967397275 14 0.354838709677419 1.16129032258065 3 44.9404432302846 42 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +77765.330045 583.2408028 "C28H40O13" "O13" "CHO" 28 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.24807925216 583.23961491374 2.03318813054117 2.03 583 582.589550909162 0.410449090837801 9 0.464285714285714 1.42857142857143 -4 44.9420685666077 41 0.9 58 0.7 584.2434028 3399.017602 0 0 0 0 "Unambiguous" +11262.823319 583.255893 "C32H40O10" "O10" "CHO" 32 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.26316945216 583.25487104684 1.74913157882674 1.75 583 582.60462425931 0.395375740689929 13 0.3125 1.25 3 44.9432421153077 42 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +38027.227389 583.2773893 "C29H44O12" "O12" "CHO" 29 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.28466575216 583.27600041904 2.37706214353516 2.38 583 582.626096556349 0.373903443650534 8 0.413793103448276 1.51724137931034 -4 44.9448674516308 41 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +9161.773745 583.3130512 "C30H48O11" "O11" "CHO" 30 48 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.32032765216 583.31238592434 1.13854615104557 1.14 583 582.661718635953 0.338281364046679 7 0.366666666666667 1.6 -4 44.9476663366538 41 0.9 62 0.8 0 0 0 0 0 0 "Unambiguous" +2269.920038 583.3864717 "C32H56O9" "O9" "CHO" 32 56 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 584.39374815216 583.38515693494 2.24979316453141 2.25 583 582.735057153967 0.264942846032795 5 0.28125 1.75 -4 44.9532641067 41 0.9 66 0.8 0 0 0 0 0 0 "Unambiguous" +5040.025715 585.0750224 "C23H22O18" "O18" "CHO" 23 22 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.08229885216 585.07333745104 2.87493576127277 2.87 585 584.421722403171 0.578277596829366 13 0.782608695652174 0.956521739130435 -5 45.0831241464 41 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +58388.034143 585.0902823 "C27H22O15" "O15" "CHO" 27 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.09755875216 585.08859358414 2.88128799518726 2.88 585 584.43696526383 0.563034736169925 17 0.555555555555556 0.814814814814815 2 45.0842976951 42 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +41924.393508 585.1114362 "C24H26O17" "O17" "CHO" 24 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.11871265216 585.10972295634 2.92303184132481 2.92 585 584.458095543196 0.541904456803763 12 0.708333333333333 1.08333333333333 -5 45.0859230314231 41 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +117827.460174 585.1266804 "C28H26O14" "O14" "CHO" 28 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.13395685216 585.12497908944 2.90259682138586 2.9 585 584.473322721386 0.526677278613533 16 0.5 0.928571428571429 2 45.0870965801231 42 0.9 58 0.4 586.1307628 4818.6858 0 0 0 0 "Unambiguous" +87827.013065 585.1478353 "C25H30O16" "O16" "CHO" 25 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.15511175216 585.14610846164 2.94604333459113 2.95 585 584.494453999636 0.505546000363893 11 0.64 1.2 -5 45.0887219164462 41 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +106998.408663 585.1627551 "C29H30O13" "O13" "CHO" 29 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.17003155216 585.16136459474 2.37218756533384 2.37 585 584.509357140054 0.490642859945865 15 0.448275862068966 1.03448275862069 2 45.0898954651462 42 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +97976.307838 585.1842342 "C26H34O15" "O15" "CHO" 26 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.19151065216 585.18249396694 2.96871078541318 2.97 585 584.530812256299 0.469187743700786 10 0.576923076923077 1.30769230769231 -5 45.0915208014692 41 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +89563.561095 585.1991789 "C30H34O12" "O12" "CHO" 30 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.20645535216 585.19775010004 2.4373664720376 2.44 585 584.545740268914 0.454259731086381 14 0.4 1.13333333333333 2 45.0926943501692 42 0.9 62 0.5 586.2030956 5436.197062 0 0 0 0 "Unambiguous" +96878.168993 585.2199033 "C27H38O14" "O14" "CHO" 27 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.22717975216 585.21887947224 1.74646927914423 1.75 585 584.566441527864 0.433558472136497 9 0.518518518518518 1.40740740740741 -5 45.0943196864923 41 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +59827.292158 585.2356247 "C31H38O11" "O11" "CHO" 31 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.24290115216 585.23413560534 2.54006429273705 2.54 585 584.582145373208 0.417854626792177 13 0.354838709677419 1.2258064516129 2 45.0954932351923 42 0.9 64 0.6 586.2389261 3404.093262 0 0 0 0 "Unambiguous" +38803.200815 585.2561007 "C28H42O13" "O13" "CHO" 28 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.26337715216 585.25526497754 1.42550685015275 1.43 585 584.602598509523 0.397401490476682 8 0.464285714285714 1.5 -5 45.0971185715154 41 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +24752.272228 585.27194 "C32H42O10" "O10" "CHO" 32 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 586.27921645216 585.27052111064 2.42015974676915 2.42 585 584.618420123219 0.38157987678062 12 0.3125 1.3125 2 45.0982921202154 42 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +3031.487095 587.089666 "C23H24O18" "O18" "CHO" 23 24 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.09694245216 587.08898751484 1.1536961189126 1.15 587 586.434116434129 0.565883565871104 12 0.782608695652174 1.04347826086957 -6 45.2381741513077 41 0.9 48 0.5 0 0 0 0 0 0 "Unambiguous" +84381.80203 587.1059439 "C27H24O15" "O15" "CHO" 27 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.11322035216 587.10424364794 2.89102846384979 2.89 587 586.45037615808 0.549623841919583 16 0.555555555555556 0.888888888888889 1 45.2393477000077 42 0.9 56 0.4 588.1096704 4383.470461 0 0 0 0 "Unambiguous" +48775.624943 587.1263491 "C24H28O17" "O17" "CHO" 24 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.13362555216 587.12537302014 1.65962260533592 1.66 587 586.470758573452 0.529241426548197 11 0.708333333333333 1.16666666666667 -6 45.2409730363308 41 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +62656.493254 587.163292 "C25H32O16" "O16" "CHO" 25 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.17056845216 587.16175852544 2.60719363099256 2.61 587 586.50766022268 0.492339777320467 10 0.64 1.28 -6 45.2437719213538 41 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +138033.404724 587.1784514 "C29H32O13" "O13" "CHO" 29 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.18572785216 587.17701465854 2.44266630753495 2.44 587 586.522802695558 0.477197304441916 14 0.448275862068966 1.10344827586207 1 45.2449454700538 42 0.9 60 0.5 588.1822069 13895.30351 0 0 0 0 "Unambiguous" +52590.228867 587.1995972 "C26H36O15" "O15" "CHO" 26 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.20687365216 587.19814403074 2.47050710404039 2.47 587 586.543924883969 0.456075116031116 9 0.576923076923077 1.38461538461538 -6 45.2465708063769 41 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +112172.33674 587.2150464 "C30H36O12" "O12" "CHO" 30 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.22232285216 587.21340016384 2.79866318576814 2.8 587 586.559356833254 0.440643166745758 13 0.4 1.2 1 45.2477443550769 42 0.9 62 0.6 588.2181911 5248.746134 0 0 0 0 "Unambiguous" +34415.655358 587.2359282 "C27H40O14" "O14" "CHO" 27 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.24320465216 587.23452953604 2.377696756957 2.38 587 586.58021531645 0.419784683550233 8 0.518518518518518 1.48148148148148 -6 45.2493696914 41 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +74309.45541 587.2512888 "C31H40O11" "O11" "CHO" 31 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.25856525216 587.24978566914 2.55522137504789 2.56 587 586.595558764667 0.404441235333366 12 0.354838709677419 1.29032258064516 1 45.2505432401 42 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +13500.973165 587.2726557 "C28H44O13" "O13" "CHO" 28 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.27993215216 587.27091504134 2.95889518719612 2.96 587 586.616901806195 0.383098193804813 7 0.464285714285714 1.57142857142857 -6 45.2521685764231 41 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +4807.564365 587.2875162 "C32H44O10" "O10" "CHO" 32 44 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 588.29479265216 587.28617117444 2.28631219721577 2.29 587 586.631745712828 0.368254287171794 11 0.3125 1.375 1 45.2533421251231 42 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +19774.378086 589.0844497 "C26H22O16" "O16" "CHO" 26 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.09172615216 589.08350820644 1.59550374682959 1.6 589 588.426672740829 0.573327259170924 16 0.615384615384615 0.846153846153846 0 45.3915988198923 42 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +5117.831745 589.100264 "C30H22O13" "O13" "CHO" 30 22 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.10754045216 589.09876433954 2.54133417590924 2.54 589 588.44246938244 0.557530617559678 20 0.433333333333333 0.733333333333333 7 45.3927723685923 43 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +125452.472862 589.1214756 "C27H26O15" "O15" "CHO" 27 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.12875205216 589.11989371174 2.68058157568711 2.68 589 588.463657297378 0.53634270262171 15 0.555555555555556 0.962962962962963 0 45.3943977049154 42 0.9 56 0.5 590.1242718 7192.666275 0 0 0 0 "Unambiguous" +49450.464904 589.1422772 "C24H30O17" "O17" "CHO" 24 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.14955365216 589.14102308394 2.12508177324344 2.13 589 588.484435670126 0.515564329874223 10 0.708333333333333 1.25 -7 45.3960230412385 41 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +151326.356038 589.1580072 "C28H30O14" "O14" "CHO" 28 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.16528365216 589.15627921704 2.92796443279797 2.93 589 588.500148105867 0.499851894132576 14 0.5 1.07142857142857 0 45.3971965899385 42 0.9 58 0.5 590.1617036 8187.364687 0 0 0 0 "Unambiguous" +9643.180099 589.1722406 "C32H30O11" "O11" "CHO" 32 30 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.17951705216 589.17153535014 1.19497515513652 1.19 589 588.514365612726 0.485634387274217 18 0.34375 0.9375 7 45.3983701386385 43 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +31521.260772 589.1789921 "C25H34O16" "O16" "CHO" 25 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.18626855216 589.17740858924 2.68306947197084 2.68 589 588.521109573941 0.478890426059479 9 0.64 1.36 -7 45.3988219262615 41 0.9 52 0.7 0 0 0 0 0 0 "Unambiguous" +132645.284304 589.1943198 "C29H34O13" "O13" "CHO" 29 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.20159625216 589.19266472234 2.80425818986503 2.8 589 588.536420158894 0.463579841106252 13 0.448275862068966 1.17241379310345 0 45.3999954749615 42 0.9 60 0.6 590.1982047 8385.221414 0 0 0 0 "Unambiguous" +15686.722802 589.2151062 "C26H38O15" "O15" "CHO" 26 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.22238265216 589.21379409454 2.22306964044958 2.22 589 588.557183348614 0.442816651386124 8 0.576923076923077 1.46153846153846 -7 45.4016208112846 41 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +120135.813922 589.2303199 "C30H38O12" "O12" "CHO" 30 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.23759635216 589.22905022764 2.15112078242402 2.15 589 588.57238006086 0.427619939139504 12 0.4 1.26666666666667 0 45.4027943599846 42 0.9 62 0.6 590.2334459 6960.218883 0 0 0 0 "Unambiguous" +6596.648628 589.2502834 "C27H42O14" "O14" "CHO" 27 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.25755985216 589.25017959984 0.175855706137665 0.18 589 588.592321269438 0.407678730561997 7 0.518518518518518 1.55555555555556 -7 45.4044196963077 41 0.9 56 0.8 0 0 0 0 0 0 "Unambiguous" +66479.905586 589.2666472 "C31H42O11" "O11" "CHO" 31 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.27392365216 589.26543573294 2.05238112585579 2.05 589 588.608666797473 0.391333202527221 11 0.354838709677419 1.35483870967742 0 45.4055932450077 42 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +13999.349413 589.3026268 "C32H46O10" "O10" "CHO" 32 46 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 590.30990325216 589.30182123824 1.36464212365628 1.36 589 588.64460622233 0.355393777669974 10 0.3125 1.4375 0 45.4083921300308 42 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +8874.068535 591.0796609 "C29H20O14" "O14" "CHO" 29 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.08693735216 591.07802889804 2.75635528685277 2.76 591 590.419656070179 0.580343929821311 20 0.482758620689655 0.689655172413793 6 45.5450234884769 43 0.9 60 0.3 0 0 0 0 0 0 "Unambiguous" +69522.709307 591.1008418 "C26H24O16" "O16" "CHO" 26 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.10811825216 591.09915827024 2.84328099572982 2.84 591 590.440813319397 0.559186680603489 15 0.615384615384615 0.923076923076923 -1 45.5466488248 42 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +15657.837576 591.1161234 "C30H24O13" "O13" "CHO" 30 24 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.12339985216 591.11441440334 2.88621706290679 2.89 591 590.456077855825 0.54392214417453 19 0.433333333333333 0.8 6 45.5478223735 43 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +4756.624772 591.1219976 "C23H28O18" "O18" "CHO" 23 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.12927405216 591.12028764244 2.88781121784817 2.89 591 590.461945496641 0.538054503358808 10 0.782608695652174 1.21739130434783 -8 45.5482741611231 41 0.9 48 0.6 0 0 0 0 0 0 "Unambiguous" +147882.579909 591.1368053 "C27H28O15" "O15" "CHO" 27 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.14408175216 591.13554377554 2.13043497162505 2.13 591 590.476736662231 0.523263337768867 14 0.555555555555556 1.03703703703704 -1 45.5494477098231 42 0.9 56 0.5 592.1405537 2553.627725 0 0 0 0 "Unambiguous" +23398.606367 591.1517595 "C31H28O12" "O12" "CHO" 31 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.15903595216 591.15079990864 1.62049601839165 1.62 591 590.491674164238 0.508325835762207 18 0.387096774193548 0.903225806451613 6 45.5506212585231 43 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +3235.616677 591.1581518 "C24H32O17" "O17" "CHO" 24 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.16542825216 591.15667314774 2.49702564438118 2.5 591 590.498059326539 0.50194067346149 9 0.708333333333333 1.33333333333333 -8 45.5510730461462 41 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +145133.551002 591.1733339 "C28H32O14" "O14" "CHO" 28 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.18061035216 591.17192928084 2.37194385535398 2.37 591 590.51322447407 0.486775525929943 13 0.5 1.14285714285714 -1 45.5522465948462 42 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +16240.286231 591.1889592 "C32H32O11" "O11" "CHO" 32 32 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.19623565216 591.18718541394 2.99526736777974 3 591 590.52883232672 0.471167673279524 17 0.34375 1 6 45.5534201435462 43 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +139185.188634 591.2092761 "C29H36O13" "O13" "CHO" 29 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.21655255216 591.20831478614 1.62324719875878 1.62 591 590.549126540688 0.450873459311538 12 0.448275862068966 1.24137931034483 -1 45.5550454798692 42 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +6475.540429 591.2226931 "C33H36O10" "O10" "CHO" 33 36 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.22996955216 591.22357091924 -1.48222698115311 1.48 591 590.562528559146 0.437471440853642 16 0.303030303030303 1.09090909090909 6 45.5562190285692 43 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +2278.566768 591.2301376 "C26H40O15" "O15" "CHO" 26 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.23741405216 591.22944415834 1.17088458710202 1.17 591 590.569964746551 0.430035253448864 7 0.576923076923077 1.53846153846154 -8 45.5566708161923 41 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +87680.920495 591.2463506 "C30H40O12" "O12" "CHO" 30 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.25362705216 591.24470029144 2.78648957913869 2.79 591 590.586159642971 0.413840357029471 11 0.4 1.33333333333333 -1 45.5578443648923 42 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +37269.442464 591.2823716 "C31H44O11" "O11" "CHO" 31 44 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 592.28964805216 591.28108579674 2.17090280777953 2.17 591 590.6221404216 0.377859578399807 10 0.354838709677419 1.41935483870968 -1 45.5606432499154 42 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +11751.398938 593.0795964 "C25H22O17" "O17" "CHO" 25 22 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.08687285216 593.07842282874 1.97542028569397 1.98 593 592.417358424333 0.582641575667253 15 0.68 0.88 -2 45.6988999446846 42 0.9 52 0.4 0 0 0 0 0 0 "Unambiguous" +12369.017428 593.0949753 "C29H22O14" "O14" "CHO" 29 22 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.10225175216 593.09367896184 2.1820118611274 2.18 593 592.432720152116 0.567279847884379 19 0.482758620689655 0.758620689655172 5 45.7000734933846 43 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +94884.293016 593.1161102 "C26H26O16" "O16" "CHO" 26 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.12338665216 593.11480833404 2.19123836761755 2.19 593 592.453831452698 0.5461685473025 14 0.615384615384615 1 -2 45.7016988297077 42 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +33677.039125 593.1317299 "C30H26O13" "O13" "CHO" 30 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.13900635216 593.13006446714 2.80310304864141 2.8 593 592.469433711601 0.530566288399086 18 0.433333333333333 0.866666666666667 5 45.7028723784077 43 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +134291.478559 593.1524034 "C27H30O15" "O15" "CHO" 27 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.15967985216 593.15119383934 2.03575015452639 2.04 593 592.490084127386 0.509915872613874 13 0.555555555555556 1.11111111111111 -2 45.7044977147308 42 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +26208.335336 593.167635 "C31H30O12" "O12" "CHO" 31 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.17491145216 593.16644997244 1.99440861133754 1.99 593 592.505298719646 0.494701280354434 17 0.387096774193548 0.967741935483871 5 45.7056712634308 43 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +13777.850542 593.1726785 "C24H34O17" "O17" "CHO" 24 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.17995495216 593.17232321154 0.597947569676238 0.6 593 592.510336588028 0.489663411971719 8 0.708333333333333 1.41666666666667 -9 45.7061230510538 41 0.9 50 0.7 0 0 0 0 0 0 "Unambiguous" +114535.331504 593.1890102 "C28H34O14" "O14" "CHO" 28 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.19628665216 593.18757934464 2.4080516693816 2.41 593 592.526650051906 0.473349948093755 12 0.5 1.21428571428571 -2 45.7072965997538 42 0.9 58 0.6 594.1924927 9065.848562 0 0 0 0 "Unambiguous" +125049.309926 593.225089 "C29H38O13" "O13" "CHO" 29 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.23236545216 593.22396484994 1.89176848215078 1.89 593 592.562688565996 0.437311434004187 11 0.448275862068966 1.31034482758621 -2 45.7100954847769 42 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +2996.264778 593.2404023 "C33H38O10" "O10" "CHO" 33 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.24767875216 593.23922098304 1.98792019262938 1.99 593 592.577984767028 0.422015232971717 15 0.303030303030303 1.15151515151515 5 45.7112690334769 43 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +47647.703137 593.2620311 "C30H42O12" "O12" "CHO" 30 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.26930755216 593.26035035524 2.82825435972916 2.83 593 592.599589416117 0.400410583883058 10 0.4 1.4 -2 45.7128943698 42 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +8072.996971 593.2982026 "C31H46O11" "O11" "CHO" 31 46 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.30547905216 593.29673586054 2.46798912620166 2.47 593 592.635720526697 0.3642794733031 9 0.354838709677419 1.48387096774194 -2 45.7156932548231 42 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +3156.669628 593.312623 "C35H46O8" "O8" "CHO" 35 46 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 594.31989945216 593.31199199364 1.06172847430584 1.06 593 592.650124824749 0.349875175250531 13 0.228571428571429 1.31428571428571 5 45.7168668035231 43 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +23767.447968 595.0958345 "C25H24O17" "O17" "CHO" 25 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.10311095216 595.09407289254 2.95520594954065 2.96 595 594.431345174858 0.568654825141948 14 0.68 0.96 -3 45.8539499495923 42 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +101605.670251 595.1319698 "C26H28O16" "O16" "CHO" 26 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.13924625216 595.13045839784 2.5353173263879 2.54 595 594.467440125859 0.532559874140702 13 0.615384615384615 1.07692307692308 -3 45.8567488346154 42 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +49809.709602 595.1468508 "C30H28O13" "O13" "CHO" 30 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.15412725216 595.14571453094 1.90599881501979 1.91 595 594.482304509602 0.517695490398182 17 0.433333333333333 0.933333333333333 4 45.8579223833154 43 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +108298.120133 595.1681776 "C27H32O15" "O15" "CHO" 27 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.17545405216 595.16684390314 2.23708784226214 2.24 595 594.503607495906 0.496392504093592 12 0.555555555555556 1.18518518518519 -3 45.8595477196385 42 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +39230.549962 595.1836916 "C31H32O12" "O12" "CHO" 31 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.19096805216 595.18210003624 2.66955362512447 2.67 595 594.519104172835 0.480895827164659 16 0.387096774193548 1.03225806451613 4 45.8607212683385 43 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +134890.738278 595.2049404 "C28H36O14" "O14" "CHO" 28 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.21221685216 595.20322940844 2.86976937364745 2.87 595 594.540329246236 0.459670753764499 11 0.5 1.28571428571429 -3 45.8623466046615 42 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +27862.196083 595.219752 "C32H36O11" "O11" "CHO" 32 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.22702845216 595.21848554154 2.12412118131685 2.12 595 594.55512430747 0.444875692529536 15 0.34375 1.125 4 45.8635201533615 43 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +77274.353774 595.2412207 "C29H40O13" "O13" "CHO" 29 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.24849715216 595.23961491374 2.69314936255407 2.69 595 594.576569035328 0.423430964671638 10 0.448275862068966 1.37931034482759 -3 45.8651454896846 42 0.9 60 0.7 596.2442067 2322.895402 0 0 0 0 "Unambiguous" +6543.750303 595.2561456 "C33H40O10" "O10" "CHO" 33 40 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.26342205216 595.25487104684 2.13756724435814 2.14 595 594.591477270052 0.408522729948345 14 0.303030303030303 1.21212121212121 4 45.8663190383846 43 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +28643.323266 595.2775545 "C30H44O12" "O12" "CHO" 30 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.28483095216 595.27600041904 2.60627284027234 2.61 595 594.612862264683 0.387137735317424 9 0.4 1.46666666666667 -3 45.8679443747077 42 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +2722.811754 595.3138023 "C31H48O11" "O11" "CHO" 31 48 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 596.32107875216 595.31238592434 2.37518965955746 2.38 595 594.649069590065 0.350930409934563 8 0.354838709677419 1.54838709677419 -3 45.8707432597308 42 0.9 64 0.8 0 0 0 0 0 0 "Unambiguous" +17408.94895 597.0902994 "C28H22O15" "O15" "CHO" 28 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.09757585216 597.08859358414 2.85206950997443 2.85 597 596.423583037533 0.576416962466965 18 0.535714285714286 0.785714285714286 3 46.0073746181769 43 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +29865.403819 597.1105131 "C25H26O17" "O17" "CHO" 25 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.11778955216 597.10972295634 1.3210502576109 1.32 597 596.443774166735 0.556225833264989 13 0.68 1.04 -4 46.0089999545 42 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +70626.627334 597.1264405 "C29H26O14" "O14" "CHO" 29 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.13371695216 597.12497908944 2.44328403254308 2.44 597 596.459683782058 0.540316217942177 17 0.482758620689655 0.896551724137931 3 46.0101735032 43 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +120350.938078 597.147551 "C26H30O16" "O16" "CHO" 26 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.15482745216 597.14610846164 2.41164710846314 2.41 597 596.480770709885 0.519229290114936 12 0.615384615384615 1.15384615384615 -4 46.0117988395231 42 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +97688.485666 597.1835704 "C27H34O15" "O15" "CHO" 27 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.19084685216 597.18249396694 1.79948099452089 1.8 597 596.516749890301 0.483250109698815 11 0.555555555555556 1.25925925925926 -4 46.0145977245462 42 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +43441.071444 597.1991078 "C31H34O12" "O12" "CHO" 31 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.20638425216 597.19775010004 2.26961797081273 2.27 597 596.532269941102 0.467730058898496 15 0.387096774193548 1.09677419354839 3 46.0157712732462 43 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +92514.100305 597.2201932 "C28H38O14" "O14" "CHO" 28 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.22746965216 597.21887947224 2.19603382770885 2.2 597 596.553331796956 0.446668203044396 10 0.5 1.35714285714286 -4 46.0173966095692 42 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +45554.435974 597.2568808 "C29H42O13" "O13" "CHO" 29 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.26415725216 597.25526497754 2.70085118833561 2.7 597 596.589978431254 0.410021568746401 9 0.448275862068966 1.44827586206897 -4 46.0201954945923 42 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +12223.286013 597.2719306 "C33H42O10" "O10" "CHO" 33 42 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.27920705216 597.27052111064 2.35590564314642 2.36 597 596.605011426513 0.394988573487467 13 0.303030303030303 1.27272727272727 3 46.0213690432923 43 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +24658.824049 597.2930771 "C30H46O12" "O12" "CHO" 30 46 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 598.30035355216 597.29165048284 2.38444980283552 2.38 597 596.626134314142 0.373865685858277 8 0.4 1.53333333333333 -4 46.0229943796154 42 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +56220.993821 599.1049451 "C28H24O15" "O15" "CHO" 28 24 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.11222155216 599.10424364794 1.16886814626537 1.17 599 598.435979166146 0.564020833853647 17 0.535714285714286 0.857142857142857 2 46.1624246230846 43 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +55252.528201 599.1268002 "C25H28O17" "O17" "CHO" 25 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.13407665216 599.12537302014 2.37810168681568 2.38 599 598.457809862547 0.542190137453417 12 0.68 1.12 -5 46.1640499594077 42 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +121047.736975 599.1419948 "C29H28O14" "O14" "CHO" 29 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.14927125216 599.14062915324 2.27551181927574 2.28 599 598.47298749612 0.527012503879632 16 0.482758620689655 0.96551724137931 2 46.1652235081077 43 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +57018.489581 599.1632031 "C26H32O16" "O16" "CHO" 26 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.17047955216 599.16175852544 2.4069403766082 2.41 599 598.494172114743 0.505827885256849 11 0.615384615384615 1.23076923076923 -5 46.1668488444308 42 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +98440.260005 599.1783918 "C30H32O13" "O13" "CHO" 30 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.18566825216 599.17701465854 2.29452573238196 2.29 599 598.509343854905 0.490656145095045 15 0.433333333333333 1.06666666666667 2 46.1680223931308 43 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +97182.153728 599.199278 "C27H36O15" "O15" "CHO" 27 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.20655445216 599.19814403074 1.88929836182211 1.89 599 598.530206733188 0.469793266812417 10 0.555555555555556 1.33333333333333 -5 46.1696477294538 42 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +47411.242643 599.214616 "C31H36O12" "O12" "CHO" 31 36 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.22189245216 599.21340016384 2.02564447461035 2.03 599 598.54552760664 0.454472393360334 14 0.387096774193548 1.16129032258065 2 46.1708212781538 43 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +42862.764324 599.2361353 "C28H40O14" "O14" "CHO" 28 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.24341175216 599.23452953604 2.67518797970231 2.68 599 598.567022877997 0.432977122002967 9 0.5 1.42857142857143 -5 46.1724466144769 42 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +20734.014221 599.2514039 "C32H40O11" "O11" "CHO" 32 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.25868035216 599.24978566914 2.69588914408417 2.7 599 598.582274428942 0.417725571058099 13 0.34375 1.25 2 46.1736201631769 43 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +23632.143542 599.272632 "C29H44O13" "O13" "CHO" 29 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.27990845216 599.27091504134 2.86026341355905 2.86 599 598.603478825456 0.396521174544205 8 0.448275862068966 1.51724137931034 -5 46.1752454995 42 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +4032.662275 599.2878291 "C33H44O10" "O10" "CHO" 33 44 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.29510555216 599.28617117444 2.76185087066536 2.76 599 598.618658956238 0.381341043761836 12 0.303030303030303 1.33333333333333 2 46.1764190482 43 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +3268.911238 599.3087381 "C30H48O12" "O12" "CHO" 30 48 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 600.31601455216 599.30730054664 2.39466102045999 2.39 599 598.639544609062 0.360455390938 7 0.4 1.6 -5 46.1780443845231 42 0.9 62 0.8 0 0 0 0 0 0 "Unambiguous" +14882.881948 601.0849343 "C27H22O16" "O16" "CHO" 27 22 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.09221075216 601.08350820644 2.36856337703403 2.37 601 600.413757492517 0.58624250748278 17 0.592592592592593 0.814814814814815 1 46.3146757429692 43 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +10638.037163 601.1058132 "C24H26O18" "O18" "CHO" 24 26 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.11308965216 601.10463757864 1.95249261335186 1.95 601 600.434613078951 0.565386921049026 12 0.75 1.08333333333333 -6 46.3163010792923 42 0.9 50 0.5 0 0 0 0 0 0 "Unambiguous" +102177.313512 601.121273 "C28H26O15" "O15" "CHO" 28 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.12854945216 601.11989371174 2.29068736436683 2.29 601 600.4500556164 0.549944383599836 16 0.535714285714286 0.928571428571429 1 46.3174746279923 43 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +33099.170184 601.1424834 "C25H30O17" "O17" "CHO" 25 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.14975985216 601.14102308394 2.42517087492007 2.43 601 600.471242332678 0.528757667321997 11 0.68 1.2 -6 46.3190999643154 42 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +20438.272124 601.1781162 "C26H34O16" "O16" "CHO" 26 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.18539265216 601.17740858924 1.17507127967599 1.18 601 600.506835344775 0.493164655224746 10 0.615384615384615 1.30769230769231 -6 46.3218988493385 42 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +96886.631412 601.1944365 "C30H34O13" "O13" "CHO" 30 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.20171295216 601.19266472234 2.94216642345775 2.94 601 600.523137421383 0.476862578617443 14 0.433333333333333 1.13333333333333 1 46.3230723980385 43 0.9 62 0.5 602.1986304 15751.319302 0 0 0 0 "Unambiguous" +26870.102227 601.2143361 "C27H38O15" "O15" "CHO" 27 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.22161255216 601.21379409454 0.90000997742828 0.9 601 600.543014801311 0.456985198688699 9 0.555555555555556 1.40740740740741 -6 46.3246977343615 42 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +55473.78855 601.2307668 "C31H38O12" "O12" "CHO" 31 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.23804325216 601.22905022764 2.85032202671954 2.85 601 600.559427154645 0.440572845355064 13 0.387096774193548 1.2258064516129 1 46.3258712830615 43 0.9 64 0.6 602.2343776 6918.265083 0 0 0 0 "Unambiguous" +21106.987009 601.2513821 "C28H42O14" "O14" "CHO" 28 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.25865855216 601.25017959984 1.99665067985669 2 601 600.580019435417 0.41998056458317 8 0.5 1.5 -6 46.3274966193846 42 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +5334.737325 601.2882364 "C29H46O13" "O13" "CHO" 29 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 602.29551285216 601.28656510514 2.77487516397799 2.77 601 600.616832583576 0.383167416423817 7 0.448275862068966 1.58620689655172 -6 46.3302955044077 42 0.9 60 0.8 0 0 0 0 0 0 "Unambiguous" +25218.427645 603.1007196 "C27H24O16" "O16" "CHO" 27 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.10799605216 603.09915827024 2.58452093050028 2.58 603 602.427291948643 0.572708051356813 16 0.592592592592593 0.888888888888889 0 46.4697257478769 43 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +124435.253619 603.137055 "C28H28O15" "O15" "CHO" 28 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.14433145216 603.13554377554 2.50142951174175 2.5 603 602.463586776211 0.536413223789168 15 0.535714285714286 1 0 46.4725246329 43 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +5544.283484 603.1525948 "C32H28O12" "O12" "CHO" 32 28 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.15987125216 603.15079990864 2.97088808007703 2.97 603 602.479109224331 0.520890775668704 19 0.375 0.875 7 46.4736981816 44 0.9 66 0.4 0 0 0 0 0 0 "Unambiguous" +19324.584373 603.1575118 "C25H32O17" "O17" "CHO" 25 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.16478825216 603.15667314774 1.38811840126989 1.39 603 602.484020733965 0.515979266034833 10 0.68 1.28 -7 46.4741499692231 42 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +22022.308736 603.194537 "C26H36O16" "O16" "CHO" 26 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.20181345216 603.19305865304 2.44677676739161 2.45 603 602.521004591296 0.478995408703895 9 0.615384615384615 1.38461538461538 -7 46.4769488542462 42 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +99875.619733 603.2099659 "C30H36O13" "O13" "CHO" 30 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.21724235216 603.20831478614 2.73264935901727 2.73 603 602.536416263249 0.463583736751389 13 0.433333333333333 1.2 0 46.4781224029462 43 0.9 62 0.6 604.2138535 2553.433671 0 0 0 0 "Unambiguous" +5491.034528 603.2306858 "C27H40O15" "O15" "CHO" 27 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.23796225216 603.22944415834 2.05488853315812 2.05 603 602.557113027223 0.442886972776932 8 0.555555555555556 1.48148148148148 -7 46.4797477392692 42 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +53438.34953 603.2459578 "C31H40O12" "O12" "CHO" 31 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.25323425216 603.24470029144 2.0810952903848 2.08 603 602.572367974372 0.427632025628441 12 0.387096774193548 1.29032258064516 0 46.4809212879692 43 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +2469.05501 603.2669724 "C28H44O14" "O14" "CHO" 28 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.27424885216 603.26582966364 1.89108895856971 1.89 603 602.593359109281 0.406640890718677 7 0.5 1.57142857142857 -7 46.4825466242923 42 0.9 58 0.8 0 0 0 0 0 0 "Unambiguous" +16365.532089 603.2822481 "C32H44O11" "O11" "CHO" 32 44 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 604.28952455216 603.28108579674 1.92342116264628 1.92 603 602.608617752298 0.391382247701813 11 0.34375 1.375 0 46.4837201729923 43 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +2494.822147 605.0800914 "C26H22O17" "O17" "CHO" 26 22 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.08736785216 605.07842282874 2.75302101413283 2.75 605 604.404453564408 0.5955464355917 16 0.653846153846154 0.846153846153846 -1 46.6219768677615 43 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +94969.726918 605.116233 "C27H26O16" "O16" "CHO" 27 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.12350945216 605.11480833404 2.35045487874957 2.35 605 604.440554808375 0.559445191625173 15 0.592592592592593 0.962962962962963 -1 46.6247757527846 43 0.9 56 0.5 606.1199045 6069.88419 0 0 0 0 "Unambiguous" +11011.08577 605.1317499 "C31H26O13" "O13" "CHO" 31 26 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.13902635216 605.13006446714 2.78060442705515 2.78 605 604.456054382066 0.543945617934241 19 0.419354838709677 0.838709677419355 6 46.6259493014846 44 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +5563.85536 605.1368271 "C24H30O18" "O18" "CHO" 24 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.14410355216 605.13593770624 1.46729755309052 1.47 605 604.461125912819 0.538874087181171 10 0.75 1.25 -8 46.6264010891077 42 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +146087.560196 605.1527875 "C28H30O15" "O15" "CHO" 28 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.16006395216 605.15119383934 2.62910863790835 2.63 605 604.477068491294 0.522931508706279 14 0.535714285714286 1.07142857142857 -1 46.6275746378077 43 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +3177.921115 605.1675427 "C32H30O12" "O12" "CHO" 32 30 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.17481915216 605.16644997244 1.80266075975173 1.8 605 604.491807215506 0.50819278449444 18 0.375 0.9375 6 46.6287481865077 44 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +115881.11286 605.1893439 "C29H34O14" "O14" "CHO" 29 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.19662035216 605.18757934464 2.91086307779745 2.91 605 604.513584072091 0.486415927909093 13 0.482758620689655 1.17241379310345 -1 46.6303735228308 43 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +84021.772706 605.2256931 "C30H38O13" "O13" "CHO" 30 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.23296955216 605.22396484994 2.85080183156587 2.85 605 604.549892684249 0.450107315750643 12 0.433333333333333 1.26666666666667 -1 46.6331724078538 43 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +45040.239203 605.2621313 "C31H42O12" "O12" "CHO" 31 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.26940775216 605.26035035524 2.93754680210672 2.94 605 604.58629019703 0.413709802970288 11 0.387096774193548 1.35483870967742 -1 46.6359712928769 43 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +3995.526741 605.2759273 "C35H42O9" "O9" "CHO" 35 42 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.28320375216 605.27560648834 0.52914489139414 0.53 605 604.600070792293 0.399929207707146 15 0.257142857142857 1.2 6 46.6371448415769 44 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +12101.94775 605.2984235 "C32H46O11" "O11" "CHO" 32 46 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 606.30569995216 605.29673586054 2.78347945618981 2.78 605 604.622541872835 0.377458127165028 10 0.34375 1.4375 -1 46.6387701779 43 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +11400.878623 607.0953711 "C26H24O17" "O17" "CHO" 26 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.10264755216 607.09407289254 2.13484921533139 2.13 607 606.417482985092 0.582517014908376 15 0.653846153846154 0.923076923076923 -2 46.7770268726692 43 0.9 54 0.4 0 0 0 0 0 0 "Unambiguous" +94520.279954 607.1321656 "C27H28O16" "O16" "CHO" 27 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.13944205216 607.13045839784 2.80725445833706 2.81 607 606.454236400024 0.545763599975771 14 0.592592592592593 1.03703703703704 -2 46.7798257576923 43 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +114470.767551 607.1682914 "C28H32O15" "O15" "CHO" 28 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.17556785216 607.16684390314 2.3800641404183 2.38 607 606.490321861633 0.50967813836678 13 0.535714285714286 1.14285714285714 -2 46.7826246427154 43 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +9335.753994 607.1833952 "C32H32O12" "O12" "CHO" 32 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.19067165216 607.18210003624 2.12953572024879 2.13 607 606.505408796595 0.494591203404866 17 0.375 1 5 46.7837981914154 44 0.9 66 0.5 608.1871712 3911.612944 0 0 0 0 "Unambiguous" +84856.896477 607.2042061 "C29H36O14" "O14" "CHO" 29 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.21148255216 607.20322940844 1.60584202706647 1.61 607 606.526196458958 0.473803541041661 12 0.482758620689655 1.24137931034483 -2 46.7854235277385 43 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +8554.7313 607.2202315 "C33H36O11" "O11" "CHO" 33 36 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.22750795216 607.21848554154 2.87056806402984 2.87 607 606.542203964853 0.457796035146544 16 0.333333333333333 1.09090909090909 5 46.7865970764385 44 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +84728.391917 607.2413346 "C30H40O13" "O13" "CHO" 30 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.24861105216 607.23961491374 2.82727527651617 2.83 607 606.563283500943 0.436716499056502 11 0.433333333333333 1.33333333333333 -2 46.7882224127615 43 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +17519.517533 607.2775959 "C31H44O12" "O12" "CHO" 31 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.28487235216 607.27600041904 2.62291737407112 2.62 607 606.599504311252 0.400495688747924 10 0.387096774193548 1.41935483870968 -2 46.7910212977846 43 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +4867.034899 607.3140683 "C32H48O11" "O11" "CHO" 32 48 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 608.32134475216 607.31238592434 2.7656035326596 2.77 607 606.635935985844 0.364064014155588 9 0.34375 1.5 -2 46.7938201828077 43 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +3450.327902 609.0903783 "C29H22O15" "O15" "CHO" 29 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.09765475216 609.08859358414 2.92529539513008 2.93 609 608.41026254223 0.589737457770411 19 0.517241379310345 0.758620689655172 4 46.9304515412538 44 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +55493.506218 609.1111665 "C26H26O17" "O17" "CHO" 26 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.11844295216 609.10972295634 2.36600561180206 2.37 609 608.43102752994 0.568972470060316 14 0.653846153846154 1 -3 46.9320768775769 43 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +48007.488585 609.1261019 "C30H26O14" "O14" "CHO" 30 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.13337835216 609.12497908944 1.84027066839658 1.84 609 608.445946252939 0.554053747061403 18 0.466666666666667 0.866666666666667 4 46.9332504262769 44 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +77266.605877 609.1471113 "C27H30O16" "O16" "CHO" 27 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.15438775216 609.14610846164 1.64358132982935 1.64 609 608.466932193655 0.533067806345116 13 0.592592592592593 1.11111111111111 -3 46.9348757626 43 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +49872.295807 609.1628731 "C31H30O13" "O13" "CHO" 31 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.17014955216 609.16136459474 2.47226984318393 2.47 609 608.482676393888 0.517323606111859 17 0.419354838709677 0.967741935483871 4 46.9360493113 44 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +74242.961095 609.184022 "C28H34O15" "O15" "CHO" 28 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.19129845216 609.18249396694 2.50418690647069 2.5 609 608.503801678838 0.49619832116241 12 0.535714285714286 1.21428571428571 -3 46.9376746476231 43 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +65125.146875 609.2203311 "C29H38O14" "O14" "CHO" 29 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.22760755216 609.21887947224 2.37883003320207 2.38 609 608.540070235772 0.459929764227923 11 0.482758620689655 1.31034482758621 -3 46.9404735326462 43 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +4263.70891 609.2355981 "C33H38O11" "O11" "CHO" 33 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.24287455216 609.23413560534 2.39657802000752 2.4 609 608.555320188504 0.444679811496485 15 0.333333333333333 1.15151515151515 4 46.9416470813461 44 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +48258.347494 609.2567114 "C30H42O13" "O13" "CHO" 30 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.26398785216 609.25526497754 2.3701586343633 2.37 609 608.576409913204 0.423590086795912 10 0.433333333333333 1.4 -3 46.9432724176692 43 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +6678.07065 609.2917988 "C31H46O12" "O12" "CHO" 31 46 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 610.29907525216 609.29165048284 0.24302373395435 0.24 609 608.6114581343 0.388541865700176 9 0.387096774193548 1.48387096774194 -3 46.9460713026923 43 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +66823.992311 611.1267638 "C26H28O17" "O17" "CHO" 26 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.13404025216 611.12537302014 2.27201849358044 2.27 611 610.444374195988 0.555625804011925 13 0.653846153846154 1.07692307692308 -4 47.0871268824846 43 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +31947.311066 611.1411115 "C30H28O14" "O14" "CHO" 30 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.14838795216 611.14062915324 0.787957249422208 0.79 611 610.458705875218 0.541294124781984 17 0.466666666666667 0.933333333333333 3 47.0883004311846 44 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +58813.153337 611.1624842 "C27H32O16" "O16" "CHO" 27 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.16976065216 611.16175852544 1.18541392712909 1.19 611 610.48005471027 0.519945289729776 12 0.592592592592593 1.18518518518519 -4 47.0899257675077 43 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +59061.858335 611.1783184 "C31H32O13" "O13" "CHO" 31 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.18559485216 611.17701465854 2.12965066632607 2.13 611 610.495871229661 0.50412877033898 16 0.419354838709677 1.03225806451613 3 47.0910993162077 44 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +101009.655508 611.1995101 "C28H36O15" "O15" "CHO" 28 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.20678655216 611.19814403074 2.23138535873336 2.23 611 610.51703926682 0.482960733180448 11 0.535714285714286 1.28571428571429 -4 47.0927246525308 43 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +30482.585441 611.2358876 "C29H40O14" "O14" "CHO" 29 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.24316405216 611.23452953604 2.2181774166021 2.22 611 610.553376147378 0.446623852621997 10 0.482758620689655 1.37931034482759 -4 47.0955235375538 43 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +12652.180611 611.25127 "C33H40O11" "O11" "CHO" 33 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.25854645216 611.24978566914 2.4243530262955 2.42 611 610.568741371253 0.431258628747173 14 0.333333333333333 1.21212121212121 3 47.0966970862538 44 0.9 68 0.6 612.2546843 2859.427484 0 0 0 0 "Unambiguous" +28797.031571 611.2722053 "C30H44O13" "O13" "CHO" 30 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.27948175216 611.27091504134 2.10730344302862 2.11 611 610.58965329471 0.410346705290181 9 0.433333333333333 1.46666666666667 -4 47.0983224225769 43 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +2374.847821 611.3078474 "C31H48O12" "O12" "CHO" 31 48 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 612.31512385216 611.30730054664 0.893091381692571 0.89 611 610.625255596423 0.374744403577438 8 0.387096774193548 1.54838709677419 -4 47.1011213076 43 0.9 64 0.8 0 0 0 0 0 0 "Unambiguous" +15259.034631 613.1055318 "C25H26O18" "O18" "CHO" 25 26 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.11280825216 613.10463757864 1.45611905171699 1.46 613 612.420932685962 0.579067314038298 13 0.72 1.04 -5 47.2393780023692 43 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +45056.035003 613.1213188 "C29H26O15" "O15" "CHO" 29 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.12859525216 613.11989371174 2.32050464843722 2.32 613 612.436702058057 0.563297941943461 17 0.517241379310345 0.896551724137931 2 47.2405515510692 44 0.9 60 0.4 614.1238381 2386.481863 0 0 0 0 "Unambiguous" +12721.245618 613.1419846 "C26H30O17" "O17" "CHO" 26 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.14926105216 613.14102308394 1.56560647543657 1.57 613 612.45734478244 0.542655217560423 12 0.653846153846154 1.15384615384615 -5 47.2421768873923 43 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +68902.212003 613.1785329 "C27H34O16" "O16" "CHO" 27 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.18580935216 613.17740858924 1.83057104690406 1.83 613 612.493852272281 0.506147727718599 11 0.592592592592593 1.25925925925926 -5 47.2449757724154 43 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +68500.779694 613.1938967 "C31H34O13" "O13" "CHO" 31 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.20117315216 613.19266472234 2.00582107911701 2.01 613 612.509198916925 0.490801083074984 15 0.419354838709677 1.09677419354839 2 47.2461493211154 44 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +50523.213006 613.2152259 "C28H38O15" "O15" "CHO" 28 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.22250235216 613.21379409454 2.33108597359839 2.33 613 612.53050430055 0.469495699450363 10 0.535714285714286 1.35714285714286 -5 47.2477746574385 43 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +30948.690272 613.2302885 "C32H38O12" "O12" "CHO" 32 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.23756495216 613.22905022764 2.01595022955964 2.02 613 612.545550081516 0.454449918483988 14 0.375 1.1875 2 47.2489482061385 44 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +18275.658791 613.25065 "C29H42O14" "O14" "CHO" 29 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.25792645216 613.25017959984 0.76580234416265 0.77 613 612.565888845683 0.434111154316838 9 0.482758620689655 1.44827586206897 -5 47.2505735424615 43 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +14698.327909 613.2663086 "C33H42O11" "O11" "CHO" 33 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.27358505216 613.26543573294 1.42097443429991 1.42 613 612.581529961151 0.418470038849478 13 0.333333333333333 1.27272727272727 2 47.2517470911615 44 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +16479.523527 613.288058 "C30H46O13" "O13" "CHO" 30 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 614.29533445216 613.28656510514 2.43025589855512 2.43 613 612.603255075576 0.396744924423842 8 0.433333333333333 1.53333333333333 -5 47.2533724274846 43 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +9351.113283 615.1009898 "C28H24O16" "O16" "CHO" 28 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.10826625216 615.09915827024 2.97274011782452 2.97 615 614.414162539732 0.585837460267726 17 0.571428571428571 0.857142857142857 1 47.3928026709538 44 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +18804.857808 615.1213775 "C25H28O18" "O18" "CHO" 25 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.12865395216 615.12028764244 1.76887984845587 1.77 615 614.434527474644 0.565472525355631 12 0.72 1.12 -6 47.3944280072769 43 0.9 52 0.5 0 0 0 0 0 0 "Unambiguous" +65947.318647 615.1373226 "C29H28O15" "O15" "CHO" 29 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.14459905216 615.13554377554 2.88702434898871 2.89 615 614.450454770203 0.549545229796763 16 0.517241379310345 0.96551724137931 1 47.3956015559769 44 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +23038.434125 615.1582174 "C26H32O17" "O17" "CHO" 26 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.16549385216 615.15667314774 2.50622969874215 2.51 615 614.471326238883 0.528673761117034 11 0.653846153846154 1.23076923076923 -6 47.3972268923 43 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +86494.378733 615.1731627 "C30H32O14" "O14" "CHO" 30 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.18043915216 615.17192928084 2.00171748672745 2 615 614.486254850827 0.513745149172564 15 0.466666666666667 1.06666666666667 1 47.398400441 44 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +20725.883879 615.1944695 "C27H36O16" "O16" "CHO" 27 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.20174595216 615.19305865304 2.28958611240295 2.29 615 614.507537859464 0.492462140535849 10 0.592592592592593 1.33333333333333 -6 47.4000257773231 43 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +68549.874378 615.2098896 "C31H36O13" "O13" "CHO" 31 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.21716605216 615.20831478614 2.55561504406615 2.56 615 614.522940741243 0.477059258757208 14 0.419354838709677 1.16129032258065 1 47.4011993260231 44 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +14158.049468 615.2299887 "C28H40O15" "O15" "CHO" 28 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 616.23726515216 615.22944415834 0.883655842989545 0.88 615 614.543017398408 0.45698260159179 9 0.535714285714286 1.42857142857143 -6 47.4028246623462 43 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +50044.298576 617.1163741 "C28H26O16" "O16" "CHO" 28 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.12365055216 617.11480833404 2.53309505077562 2.53 617 616.427296443618 0.572703556381612 16 0.571428571428571 0.928571428571429 0 47.5478526758615 44 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +8882.265637 617.137309 "C25H30O18" "O18" "CHO" 25 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.14458545216 617.13593770624 2.21840293062432 2.22 617 616.448207967522 0.551792032478033 11 0.72 1.2 -7 47.5494780121846 43 0.9 52 0.6 0 0 0 0 0 0 "Unambiguous" +79414.454034 617.1522797 "C29H30O15" "O15" "CHO" 29 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.15955615216 617.15119383934 1.75660256198922 1.76 617 616.463161951105 0.536838048895333 15 0.517241379310345 1.03448275862069 0 47.5506515608846 44 0.9 60 0.5 618.1565518 4640.353599 0 0 0 0 "Unambiguous" +6633.387782 617.1734001 "C26H34O17" "O17" "CHO" 26 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.18067655216 617.17232321154 1.74202866715291 1.74 617 616.484258767877 0.515741232122764 10 0.653846153846154 1.30769230769231 -7 47.5522768972077 43 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +111459.406251 617.1887364 "C30H34O14" "O14" "CHO" 30 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.19601285216 617.18757934464 1.87166422301792 1.87 617 616.499577943228 0.500422056772209 14 0.466666666666667 1.13333333333333 0 47.5534504459077 44 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +13193.224121 617.2098717 "C27H38O16" "O16" "CHO" 27 38 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.21714815216 617.20870871684 1.88118877569019 1.88 617 616.520689643363 0.479310356637029 9 0.592592592592593 1.40740740740741 -7 47.5550757822308 43 0.9 56 0.7 0 0 0 0 0 0 "Unambiguous" +53240.009531 617.2250091 "C31H38O13" "O13" "CHO" 31 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.23228555216 617.22396484994 1.68909014359206 1.69 617 616.535810140807 0.464189859193198 13 0.419354838709677 1.2258064516129 0 47.5562493309308 44 0.9 64 0.6 618.2290365 2442.617527 0 0 0 0 "Unambiguous" +2157.233753 617.2392309 "C35H38O10" "O10" "CHO" 35 38 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.24650735216 617.23922098304 0.0160404626973285 0.02 617 616.550016060618 0.449983939382037 17 0.285714285714286 1.08571428571429 7 47.5574228796308 45 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +2967.223278 617.2457782 "C28H42O15" "O15" "CHO" 28 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.25305465216 617.24509422214 1.10630728774963 1.11 617 616.556556049844 0.443443950155711 8 0.535714285714286 1.5 -7 47.5578746672538 43 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +13956.467929 617.2975973 "C33H46O11" "O11" "CHO" 33 46 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 618.30487375216 617.29673586054 1.39322767222281 1.39 617 616.608317288174 0.391682711825752 11 0.333333333333333 1.39393939393939 0 47.5618471009769 44 0.9 68 0.7 0 0 0 0 0 0 "Unambiguous" +7556.831364 619.0959048 "C27H24O17" "O17" "CHO" 27 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.10318125216 619.09407289254 2.95419780990956 2.95 619 618.404616781954 0.59538321804564 16 0.62962962962963 0.888888888888889 -1 47.7001037957462 44 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +2602.643038 619.1150934 "C24H28O19" "O19" "CHO" 24 28 19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.12236985216 619.11520226474 -0.17555364119467 0.18 619 618.423783955792 0.57621604420774 11 0.791666666666667 1.16666666666667 -8 47.7017291320692 43 0.9 50 0.6 0 0 0 0 0 0 "Unambiguous" +82529.334349 619.1320096 "C28H28O16" "O16" "CHO" 28 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.13928605216 619.13045839784 2.50137702096845 2.5 619 618.440681267012 0.55931873298789 15 0.571428571428571 1 -1 47.7029026807692 44 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +98740.077301 619.168015 "C29H32O15" "O15" "CHO" 29 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.17529145216 619.16684390314 1.88833201868794 1.89 619 618.476646463061 0.523353536939112 14 0.517241379310345 1.10344827586207 -1 47.7057015657923 44 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +3939.948395 619.183817 "C33H32O12" "O12" "CHO" 33 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.19109345216 619.18210003624 2.7684431107753 2.77 619 618.492430818407 0.507569181593453 18 0.363636363636364 0.96969696969697 6 47.7068751144923 45 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +5707.432547 619.1894001 "C26H36O17" "O17" "CHO" 26 36 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.19667655216 619.18797327534 2.30060029983009 2.3 619 618.498007684267 0.501992315732878 9 0.653846153846154 1.38461538461538 -8 47.7073269021154 43 0.9 54 0.7 0 0 0 0 0 0 "Unambiguous" +70127.185 619.2043826 "C30H36O14" "O14" "CHO" 30 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.21165905216 619.20322940844 1.85935163143338 1.86 619 618.512973454674 0.487026545326103 13 0.466666666666667 1.2 -1 47.7085004508154 44 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +47045.774084 619.240942 "C31H40O13" "O13" "CHO" 31 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.24821845216 619.23961491374 2.13960511385881 2.14 619 618.549492032121 0.450507967878821 12 0.419354838709677 1.29032258064516 -1 47.7112993358385 44 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +14018.553472 619.2771221 "C32H44O12" "O12" "CHO" 32 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 620.28439855216 619.27600041904 1.80833334303819 1.81 619 618.585631733098 0.414368266901647 11 0.375 1.375 -1 47.7140982208615 44 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +2662.31549 621.0898126 "C30H22O15" "O15" "CHO" 30 22 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.09708905216 621.08859358414 1.95952670642643 1.96 621 620.396298166692 0.603701833307809 20 0.5 0.733333333333333 5 47.8535284643308 45 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +25017.89951 621.1113811 "C27H26O17" "O17" "CHO" 27 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.11865755216 621.10972295634 2.66531736318981 2.67 621 620.417842583112 0.582157416887526 15 0.62962962962963 0.962962962962963 -2 47.8551538006539 44 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +10376.266863 621.1257253 "C31H26O14" "O14" "CHO" 31 26 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.13300175216 621.12497908944 1.19943895904602 1.2 621 620.432170766251 0.567829233749421 19 0.451612903225806 0.838709677419355 5 47.8563273493538 45 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +61962.904072 621.147826 "C28H30O16" "O16" "CHO" 28 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.15510245216 621.14610846164 2.7606272989751 2.76 621 620.454246788412 0.545753211588476 14 0.571428571428571 1.07142857142857 -2 47.8579526856769 44 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +12337.410602 621.1630313 "C32H30O13" "O13" "CHO" 32 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.17030775216 621.16136459474 2.67885696113914 2.68 621 620.469435110038 0.53056488996242 18 0.40625 0.9375 5 47.8591262343769 45 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +91369.581605 621.1839767 "C29H34O15" "O15" "CHO" 29 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.19125315216 621.18249396694 2.38308245656573 2.38 621 620.490357122217 0.509642877783108 13 0.517241379310345 1.17241379310345 -2 47.8607515707 44 0.9 60 0.6 622.1868122 2917.411824 0 0 0 0 "Unambiguous" +6336.207723 621.1989302 "C33H34O12" "O12" "CHO" 33 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.20620665216 621.19775010004 1.89663803945988 1.9 621 620.505293925005 0.494706074994838 17 0.363636363636364 1.03030303030303 5 47.8619251194 45 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +56804.960091 621.2198716 "C30H38O14" "O14" "CHO" 30 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.22714805216 621.21887947224 1.59447842017182 1.59 621 620.526211941651 0.473788058349101 12 0.466666666666667 1.26666666666667 -2 47.8635504557231 44 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +8008.048984 621.2352079 "C34H38O11" "O11" "CHO" 34 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.24248435216 621.23413560534 1.72327458669831 1.72 621 620.541531117001 0.458468882998659 16 0.323529411764706 1.11764705882353 5 47.8647240044231 45 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +59016.034897 621.2563708 "C31H42O13" "O13" "CHO" 31 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.26364725216 621.25526497754 1.77709635613995 1.78 621 620.562670386318 0.437329613681868 11 0.419354838709677 1.35483870967742 -2 47.8663493407461 44 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +9936.83503 621.2925956 "C32H46O12" "O12" "CHO" 32 46 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 622.29987205216 621.29165048284 1.51874876170087 1.52 621 620.598854737383 0.401145262617206 10 0.375 1.4375 -2 47.8691482257692 44 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +71320.512454 623.1265911 "C27H28O17" "O17" "CHO" 27 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.13386755216 623.12537302014 1.95163237139006 1.95 623 622.430802381623 0.56919761837662 14 0.62962962962963 1.03703703703704 -3 48.0102038055615 44 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +25213.584379 623.1424144 "C31H28O14" "O14" "CHO" 31 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.14969085216 623.14062915324 2.86028622014235 2.86 623 622.446608013185 0.553391986814745 18 0.451612903225806 0.903225806451613 4 48.0113773542615 45 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +65970.274908 623.1632832 "C28H32O16" "O16" "CHO" 28 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.17055965216 623.16175852544 2.44272104234316 2.44 623 622.467453510897 0.532546489103311 13 0.571428571428571 1.14285714285714 -3 48.0130026905846 44 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +20078.671707 623.1778946 "C32H32O13" "O13" "CHO" 32 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.18517105216 623.17701465854 1.40974425664014 1.41 623 622.482048595677 0.517951404323071 17 0.40625 1 4 48.0141762392846 45 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +59316.894129 623.1995684 "C29H36O15" "O15" "CHO" 29 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.20684485216 623.19814403074 2.28188664022886 2.28 623 622.503698194518 0.496301805481835 12 0.517241379310345 1.24137931034483 -3 48.0158015756077 44 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +44316.809019 623.2354769 "C30H40O14" "O14" "CHO" 30 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.24275335216 623.23452953604 1.51762107754925 1.52 623 622.539566598766 0.460433401233672 11 0.466666666666667 1.33333333333333 -3 48.0186004606308 44 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +3648.698162 623.2497662 "C34H40O11" "O11" "CHO" 34 40 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.25704265216 623.24978566914 -0.0311876978974188 0.03 623 622.553839943206 0.446160056793701 15 0.323529411764706 1.17647058823529 4 48.0197740093308 45 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +21006.69743 623.271739 "C31H44O13" "O13" "CHO" 31 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 624.27901545216 623.27091504134 1.31985640975674 1.32 623 622.575788208182 0.424211791818493 10 0.419354838709677 1.41935483870968 -3 48.0213993456538 44 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +10755.981289 625.1059535 "C26H26O18" "O18" "CHO" 26 26 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.11322995216 625.10463757864 2.10173064089502 2.1 625 624.407954607885 0.59204539211521 14 0.692307692307692 1 -4 48.1624549254462 44 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +32930.314557 625.1211908 "C30H26O15" "O15" "CHO" 30 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.12846725216 625.11989371174 2.07160084206903 2.07 625 624.423174893779 0.576825106220554 18 0.5 0.866666666666667 3 48.1636284741462 45 0.9 62 0.4 626.1252409 2341.186017 0 0 0 0 "Unambiguous" +42837.380079 625.1422045 "C27H30O17" "O17" "CHO" 27 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.14948095216 625.14102308394 1.88679555916689 1.89 625 624.444165129694 0.555834870305716 13 0.62962962962963 1.11111111111111 -4 48.1652538104692 44 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +46980.729822 625.1573062 "C31H30O14" "O14" "CHO" 31 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.16458265216 625.15627921704 1.64011665368658 1.64 625 624.459249967001 0.540750032998858 17 0.451612903225806 0.967741935483871 3 48.1664273591692 45 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +64501.782751 625.1789623 "C28H34O16" "O16" "CHO" 28 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.18623875216 625.17740858924 2.48122789001542 2.48 625 624.480881885606 0.519118114393564 12 0.571428571428571 1.21428571428571 -4 48.1680526954923 44 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +47094.087502 625.1938008 "C32H34O13" "O13" "CHO" 32 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.20107725216 625.19266472234 1.81423779226455 1.81 625 624.495703816805 0.504296183195265 16 0.40625 1.0625 3 48.1692262441923 45 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +47281.629618 625.2152906 "C29H38O15" "O15" "CHO" 29 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.22256705216 625.21379409454 2.38973415953186 2.39 625 624.517169621102 0.482830378897916 11 0.517241379310345 1.31034482758621 -4 48.1708515805154 44 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +8635.644414 625.2275721 "C33H38O12" "O12" "CHO" 33 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.23484855216 625.22905022764 -2.36034076257788 2.36 625 624.529437407469 0.470562592530541 15 0.363636363636364 1.15151515151515 3 48.1720251292154 45 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +13388.019735 625.2307932 "C33H38O12" "O12" "CHO" 33 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.23806965216 625.22905022764 2.78324241929674 2.78 625 624.53265491076 0.467345089239529 15 0.363636363636364 1.15151515151515 3 48.1720251292154 45 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +16724.955378 625.2508463 "C30H42O14" "O14" "CHO" 30 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.25812275216 625.25017959984 1.06457726592329 1.06 625 624.55268561929 0.447314380710168 10 0.466666666666667 1.4 -4 48.1736504655385 44 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +4576.947006 625.2665366 "C34H42O11" "O11" "CHO" 34 42 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.27381305216 625.26543573294 1.75780471269038 1.76 625 624.568358399361 0.431641600639296 14 0.323529411764706 1.23529411764706 3 48.1748240142385 45 0.9 70 0.6 626.2696928 2297.571034 0 0 0 0 "Unambiguous" +5203.370824 625.2878576 "C31H46O13" "O13" "CHO" 31 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 626.29513405216 625.28656510514 2.0637153153637 2.06 625 624.589655592142 0.410344407858361 9 0.419354838709677 1.48387096774194 -4 48.1764493505615 44 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +6805.690774 627.1007254 "C29H24O16" "O16" "CHO" 29 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.10800185216 627.09915827024 2.49500047029831 2.5 627 626.400499127761 0.599500872239332 18 0.551724137931034 0.827586206896552 2 48.3158795940308 45 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +11449.752581 627.1211432 "C26H28O18" "O18" "CHO" 26 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.12841965216 627.12028764244 1.36207427219699 1.36 627 626.420894129063 0.579105870937155 13 0.692307692307692 1.07692307692308 -5 48.3175049303538 44 0.9 54 0.5 0 0 0 0 0 0 "Unambiguous" +19768.224015 627.1371121 "C30H28O15" "O15" "CHO" 30 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.14438855216 627.13554377554 2.49675789287276 2.5 627 626.436845198046 0.563154801953601 17 0.5 0.933333333333333 2 48.3186784790538 45 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +36680.972923 627.1580956 "C27H32O17" "O17" "CHO" 27 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.16537205216 627.15667314774 2.26445506761589 2.26 627 626.457805267683 0.542194732317057 12 0.62962962962963 1.18518518518519 -5 48.3203038153769 44 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +41552.629443 627.1736873 "C31H32O14" "O14" "CHO" 31 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.18096375216 627.17192928084 2.79858712922203 2.8 627 626.473379557851 0.526620442148669 16 0.451612903225806 1.03225806451613 2 48.3214773640769 45 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +40804.415809 627.19435 "C28H36O16" "O16" "CHO" 28 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.20162645216 627.19305865304 2.05562498664805 2.06 627 626.494019185696 0.505980814304053 11 0.571428571428571 1.28571428571429 -5 48.3231027004 44 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +54466.041821 627.2099784 "C32H36O13" "O13" "CHO" 32 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.21725485216 627.20831478614 2.64815053563582 2.65 627 626.509630134885 0.490369865115099 15 0.40625 1.125 2 48.3242762491 45 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +27629.163683 627.2300255 "C29H40O15" "O15" "CHO" 29 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.23730195216 627.22944415834 0.925353617476178 0.93 627 626.529654850114 0.470345149886043 10 0.517241379310345 1.37931034482759 -5 48.3259015854231 44 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +5500.265559 627.2666334 "C30H44O14" "O14" "CHO" 30 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.27390985216 627.26582966364 1.2792769959229 1.28 627 626.566221873406 0.433778126594234 9 0.466666666666667 1.46666666666667 -5 48.3287004704462 44 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +5773.397315 627.2826708 "C34H44O11" "O11" "CHO" 34 44 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 628.28994725216 627.28108579674 2.52272580021281 2.52 627 626.582241365902 0.417758634098391 13 0.323529411764706 1.29411764705882 2 48.3298740191462 45 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +19926.906427 629.1161465 "C29H26O16" "O16" "CHO" 29 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.12342295216 629.11480833404 2.12365690787231 2.12 629 628.413669790556 0.586330209444441 17 0.551724137931034 0.896551724137931 1 48.4709295989385 45 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +11512.170641 629.1378292 "C26H30O18" "O18" "CHO" 26 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.14510565216 629.13593770624 3.00167968146858 3 629 628.435328279459 0.5646717205409 12 0.692307692307692 1.15384615384615 -6 48.4725549352615 44 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +56323.845753 629.1527611 "C30H30O15" "O15" "CHO" 30 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.16003755216 629.15119383934 2.48708354492834 2.49 629 628.450243506366 0.549756493633936 16 0.5 1 1 48.4737284839615 45 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +25713.371168 629.172746 "C27H34O17" "O17" "CHO" 27 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.18002245216 629.17232321154 0.670901083739426 0.67 629 628.470206091048 0.529793908951888 11 0.62962962962963 1.25925925925926 -6 48.4753538202846 44 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +33608.394238 629.1873846 "C31H34O14" "O14" "CHO" 31 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.19466105216 629.18757934464 -0.30902299247187 0.31 629 628.484828345457 0.515171654543337 15 0.451612903225806 1.09677419354839 1 48.4765273689846 45 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +8228.789182 629.209678 "C28H38O16" "O16" "CHO" 28 38 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.21695445216 629.20870871684 1.53801504901006 1.54 629 628.507096852447 0.492903147552852 10 0.571428571428571 1.35714285714286 -6 48.4781527053077 44 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +28966.64394 629.2254874 "C32H38O13" "O13" "CHO" 32 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.23276385216 629.22396484994 2.4158535502417 2.42 629 628.52288859953 0.477111400470221 14 0.40625 1.1875 1 48.4793262540077 45 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +10683.056949 629.2466084 "C29H42O15" "O15" "CHO" 29 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.25388485216 629.24509422214 2.40248873735403 2.4 629 628.543986015633 0.456013984367473 9 0.517241379310345 1.44827586206897 -6 48.4809515903308 44 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +20855.305299 629.26176 "C33H42O12" "O12" "CHO" 33 42 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.26903645216 629.26035035524 2.23657625306978 2.24 629 628.559120697221 0.440879302779422 13 0.363636363636364 1.27272727272727 1 48.4821251390308 45 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +4445.379507 629.2823969 "C30H46O14" "O14" "CHO" 30 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 630.28967335216 629.28147972744 1.45516037903967 1.46 629 628.579734553874 0.420265446126336 8 0.466666666666667 1.53333333333333 -6 48.4837504753538 44 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +4427.576502 631.0951081 "C28H24O17" "O17" "CHO" 28 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.10238455216 631.09407289254 1.63772117500078 1.64 631 630.390421664354 0.609578335646347 17 0.607142857142857 0.857142857142857 0 48.6231807188231 45 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +53619.117314 631.131695 "C29H28O16" "O16" "CHO" 29 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.13897145216 631.13045839784 1.9562188314056 1.96 631 630.426967711094 0.573032288905665 16 0.551724137931034 0.96551724137931 0 48.6259796038462 45 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +3784.356258 631.1458852 "C33H28O13" "O13" "CHO" 33 28 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.15316165216 631.14571453094 0.269980552782143 0.27 631 630.44114206619 0.558857933809804 20 0.393939393939394 0.848484848484849 7 48.6271531525461 46 0.9 68 0.4 0 0 0 0 0 0 "Unambiguous" +8176.818423 631.1531677 "C26H32O18" "O18" "CHO" 26 32 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.16044415216 631.15158777004 2.49925469814753 2.5 631 630.448416434486 0.551583565514306 11 0.692307692307692 1.23076923076923 -7 48.6276049401692 44 0.9 54 0.6 0 0 0 0 0 0 "Unambiguous" +58926.458483 631.1684603 "C30H32O15" "O15" "CHO" 30 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.17573675216 631.16684390314 2.55687899123831 2.56 631 630.463691958632 0.536308041368102 15 0.5 1.06666666666667 0 48.6287784888692 45 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +3030.143524 631.1831661 "C34H32O12" "O12" "CHO" 34 32 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.19044255216 631.18210003624 1.68630160833461 1.69 631 630.478381338004 0.521618661995717 19 0.352941176470588 0.941176470588235 7 48.6299520375692 46 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +6175.23568 631.1887658 "C27H36O17" "O17" "CHO" 27 36 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.19604225216 631.18797327534 1.25360585510526 1.25 631 630.483974785329 0.516025214670663 10 0.62962962962963 1.33333333333333 -7 48.6304038251923 44 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +41976.966206 631.2049609 "C31H36O14" "O14" "CHO" 31 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.21223735216 631.20322940844 2.73878210149813 2.74 631 630.500151801736 0.499848198264203 14 0.451612903225806 1.16129032258065 0 48.6315773738923 45 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +2787.492094 631.2258022 "C28H40O16" "O16" "CHO" 28 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.23307865216 631.22435878064 2.2830494143191 2.28 631 630.520969830154 0.479030169845942 9 0.571428571428571 1.42857142857143 -7 48.6332027102154 44 0.9 58 0.7 0 0 0 0 0 0 "Unambiguous" +67993.162396 631.2410609 "C32H40O13" "O13" "CHO" 32 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.24833735216 631.23961491374 2.2870542706037 2.29 631 630.536211492153 0.46378850784663 13 0.40625 1.25 0 48.6343762589154 45 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +26429.924379 631.2774381 "C33H44O12" "O12" "CHO" 33 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 632.28471455216 631.27600041904 2.27378730970041 2.27 631 630.572548073047 0.42745192695304 12 0.363636363636364 1.33333333333333 0 48.6371751439385 45 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +22976.179517 633.1114574 "C28H26O17" "O17" "CHO" 28 26 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.11873385216 633.10972295634 2.73520331016572 2.74 633 632.404519490712 0.595480509287881 16 0.607142857142857 0.928571428571429 -1 48.7782307237308 45 0.9 58 0.4 0 0 0 0 0 0 "Unambiguous" +41716.467253 633.1472866 "C29H30O16" "O16" "CHO" 29 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.15456305216 633.14610846164 1.85780948161297 1.86 633 632.440308683507 0.559691316492604 15 0.551724137931034 1.03448275862069 -1 48.7810296087538 45 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +5278.604988 633.1605026 "C33H30O13" "O13" "CHO" 33 30 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.16777905216 633.16136459474 -1.35925344760206 1.36 633 632.453509926404 0.546490073596374 19 0.393939393939394 0.909090909090909 6 48.7822031574538 46 0.9 68 0.4 0 0 0 0 0 0 "Unambiguous" +42337.780783 633.1836629 "C30H34O15" "O15" "CHO" 30 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.19093935216 633.18249396694 1.843187890918 1.84 633 632.476644365406 0.523355634594282 14 0.5 1.13333333333333 -1 48.7838284937769 45 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +6432.600054 633.1995273 "C34H34O12" "O12" "CHO" 34 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.20680375216 633.19775010004 2.80224045131658 2.8 633 632.492491051075 0.507508948924965 18 0.352941176470588 1 6 48.7850020424769 46 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +35963.522995 633.2196063 "C31H38O14" "O14" "CHO" 31 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.22688275216 633.21887947224 1.14600591642625 1.15 633 632.512547630684 0.487452369315747 13 0.451612903225806 1.2258064516129 -1 48.7866273788 45 0.9 64 0.6 634.2235065 2643.111064 0 0 0 0 "Unambiguous" +4843.860011 633.234424 "C35H38O11" "O11" "CHO" 35 38 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.24170045216 633.23413560534 0.454707818572754 0.45 633 632.527348785108 0.472651214891926 17 0.314285714285714 1.08571428571429 6 48.7878009275 46 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +23994.568496 633.2567589 "C32H42O13" "O13" "CHO" 32 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.26403535216 633.25526497754 2.3553636606085 2.36 633 632.549658745759 0.450341254240811 12 0.40625 1.3125 -1 48.7894262638231 45 0.9 66 0.6 634.2599313 2511.378646 0 0 0 0 "Unambiguous" +9503.592375 633.2929489 "C33H46O12" "O12" "CHO" 33 46 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 634.30022535216 633.29165048284 2.04700725022417 2.05 633 632.585808335682 0.414191664318082 11 0.363636363636364 1.39393939393939 -1 48.7922251488461 45 0.9 68 0.7 0 0 0 0 0 0 "Unambiguous" +2242.364412 635.0905369 "C27H24O18" "O18" "CHO" 27 24 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.09781335216 635.08898751484 2.435765581211 2.44 635 634.381389132862 0.618610867137932 16 0.666666666666667 0.888888888888889 -2 48.9304818436154 45 0.9 56 0.4 0 0 0 0 0 0 "Unambiguous" +24406.058186 635.127155 "C28H28O17" "O17" "CHO" 28 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.13443145216 635.12537302014 2.80126302219238 2.8 635 634.417966344765 0.582033655235364 15 0.607142857142857 1 -2 48.9332807286385 45 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +2387.937314 635.1420917 "C32H28O14" "O14" "CHO" 32 28 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.14936815216 635.14062915324 2.29906187650416 2.3 635 634.432886366312 0.567113633687995 19 0.4375 0.875 5 48.9344542773385 46 0.9 66 0.4 0 0 0 0 0 0 "Unambiguous" +53390.468521 635.1630228 "C29H32O16" "O16" "CHO" 29 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.17029925216 635.16175852544 1.98732094465538 1.99 635 634.453794094459 0.546205905541342 14 0.551724137931034 1.10344827586207 -2 48.9360796136615 45 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +6715.392806 635.1784333 "C33H32O13" "O13" "CHO" 33 32 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.18570975216 635.17701465854 2.22991720551199 2.23 635 634.469187386957 0.530812613043281 18 0.393939393939394 0.96969696969697 5 48.9372531623615 46 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +65420.451916 635.1998772 "C30H36O15" "O15" "CHO" 30 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.20715365216 635.19814403074 2.72422158416319 2.72 635 634.490607342506 0.509392657493663 13 0.5 1.2 -2 48.9388784986846 45 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +33815.953193 635.2364062 "C31H40O14" "O14" "CHO" 31 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.24368265216 635.23452953604 2.94959936140245 2.95 635 634.527095553899 0.472904446101325 12 0.451612903225806 1.29032258064516 -2 48.9416773837077 45 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +11708.211837 635.2717547 "C32H44O13" "O13" "CHO" 32 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 636.27903115216 635.27091504134 1.31963905591816 1.32 635 634.562404583448 0.437595416552313 11 0.40625 1.375 -2 48.9444762687308 45 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +3005.555792 637.1047832 "C27H26O18" "O18" "CHO" 27 26 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.11205965216 637.10463757864 0.228206563165532 0.23 637 636.393386307449 0.606613692550809 15 0.666666666666667 0.962962962962963 -3 49.0855318485231 45 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +10793.692157 637.1204752 "C31H26O15" "O15" "CHO" 31 26 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.12775165216 637.11989371174 0.911241140136029 0.91 637 636.409060785622 0.590939214378295 19 0.483870967741935 0.838709677419355 4 49.0867053972231 46 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +45479.039043 637.1423199 "C28H30O17" "O17" "CHO" 28 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.14959635216 637.14102308394 2.03215056056045 2.03 637 636.430881093635 0.569118906365475 14 0.607142857142857 1.07142857142857 -3 49.0883307335462 45 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +24556.854769 637.157567 "C32H30O14" "O14" "CHO" 32 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.16484345216 637.15627921704 2.01794720149174 2.02 637 636.446111168587 0.553888831413474 18 0.4375 0.9375 4 49.0895042822462 46 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +35957.231451 637.1784072 "C29H34O16" "O16" "CHO" 29 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.18568365216 637.17740858924 1.56476521737732 1.56 637 636.466928098233 0.533071901766903 13 0.551724137931034 1.17241379310345 -3 49.0911296185692 45 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +9219.287159 637.1944336 "C33H34O13" "O13" "CHO" 33 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.20171005216 637.19266472234 2.77165922953298 2.77 637 636.482936603012 0.517063396988419 17 0.393939393939394 1.03030303030303 4 49.0923031672692 46 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +42477.634773 637.2146845 "C30H38O15" "O15" "CHO" 30 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.22196095216 637.21379409454 1.39513447421745 1.4 637 636.503164890676 0.496835109324252 12 0.5 1.26666666666667 -3 49.0939285035923 45 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +5265.260916 637.230322 "C34H38O12" "O12" "CHO" 34 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.23759845216 637.22905022764 1.99263152645033 1.99 637 636.518784929704 0.481215070296457 16 0.352941176470588 1.11764705882353 4 49.0951020522923 46 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +18500.67623 637.2519211 "C31H42O14" "O14" "CHO" 31 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.25919755216 637.25017959984 2.72851557287402 2.73 637 636.540359911956 0.459640088044466 11 0.451612903225806 1.35483870967742 -3 49.0967273886154 45 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +2145.417797 637.2867872 "C32H46O13" "O13" "CHO" 32 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 638.29406365216 637.28656510514 0.34795069032475 0.35 637 636.575187080157 0.424812919843134 10 0.40625 1.4375 -3 49.0995262736385 45 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +10483.54629 639.1008814 "C30H24O16" "O16" "CHO" 30 24 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.10815785216 639.09915827024 2.69193532208994 2.69 639 638.387255646367 0.612744353633275 19 0.533333333333333 0.8 3 49.2389565171077 46 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +2839.074122 639.1208022 "C27H28O18" "O18" "CHO" 27 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.12807865216 639.12028764244 0.803835321641962 0.8 639 638.407154202623 0.592845797376526 14 0.666666666666667 1.03703703703704 -4 49.2405818534308 45 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +9158.893014 639.137178 "C31H28O15" "O15" "CHO" 31 28 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.14445445216 639.13554377554 2.5528995035368 2.55 639 638.423511717259 0.576488282741138 18 0.483870967741935 0.903225806451613 3 49.2417554021308 46 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +24954.410865 639.1583988 "C28H32O17" "O17" "CHO" 28 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.16567525216 639.15667314774 2.69563384404622 2.7 639 638.444708821924 0.555291178076004 13 0.607142857142857 1.14285714285714 -4 49.2433807384538 45 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +31010.293678 639.172934 "C32H32O14" "O14" "CHO" 32 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.18021045216 639.17192928084 1.56943176881552 1.57 639 638.45922779179 0.540772208210115 17 0.4375 1 3 49.2445542871538 46 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +47954.288285 639.1948547 "C29H36O16" "O16" "CHO" 29 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.20213115216 639.19305865304 2.80543733386303 2.81 639 638.48112401494 0.518875985059594 12 0.551724137931034 1.24137931034483 -4 49.2461796234769 45 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +13349.357889 639.209115 "C33H36O13" "O13" "CHO" 33 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.21639145216 639.20831478614 1.24991154656303 1.25 639 638.495368391762 0.504631608238014 16 0.393939393939394 1.09090909090909 3 49.2473531721769 46 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +17031.764153 639.2306137 "C30H40O15" "O15" "CHO" 30 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.23789015216 639.22944415834 1.82672984217677 1.83 639 638.516843086122 0.483156913878361 11 0.5 1.33333333333333 -4 49.2489785085 45 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +7068.17704 639.2461299 "C34H40O12" "O12" "CHO" 34 40 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.25340635216 639.24470029144 2.23287927218266 2.23 639 638.532341960594 0.467658039405933 15 0.352941176470588 1.17647058823529 3 49.2501520572 46 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +2503.72742 639.267135 "C31H44O14" "O14" "CHO" 31 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 640.27441145216 639.26582966364 2.03871392745299 2.04 639 638.553323606112 0.446676393888197 10 0.451612903225806 1.41935483870968 -4 49.2517773935231 45 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +14982.443012 641.1163751 "C30H26O16" "O16" "CHO" 30 26 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.12365155216 641.11480833404 2.43997547231172 2.44 641 640.400498828096 0.599501171904308 18 0.533333333333333 0.866666666666667 2 49.3940065220154 46 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +11575.619142 641.1371232 "C27H30O18" "O18" "CHO" 27 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.14439965216 641.13593770624 1.84614825048481 1.85 641 640.421223760582 0.578776239418062 13 0.666666666666667 1.11111111111111 -5 49.3956318583385 45 0.9 56 0.5 0 0 0 0 0 0 "Unambiguous" +30476.506337 641.1528513 "C31H30O15" "O15" "CHO" 31 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.16012775216 641.15119383934 2.5810706525811 2.58 641 640.436934298445 0.563065701555161 17 0.483870967741935 0.967741935483871 2 49.3968054070385 46 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +32657.181617 641.1894493 "C32H34O14" "O14" "CHO" 32 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.19672575216 641.18757934464 2.91181079725543 2.91 641 640.473491432791 0.526508567208907 16 0.4375 1.0625 2 49.3996042920615 46 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +8923.724154 641.2098115 "C29H38O16" "O16" "CHO" 29 38 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.21708795216 641.20870871684 1.71715013618264 1.72 641 640.493830896177 0.506169103823254 11 0.551724137931034 1.31034482758621 -5 49.4012296283846 45 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +30155.677788 641.2257195 "C33H38O13" "O13" "CHO" 33 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.23299595216 641.22396484994 2.73210823959272 2.73 641 640.509721133162 0.490278866838253 15 0.393939393939394 1.15151515151515 2 49.4024031770846 46 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +6201.848348 641.2465463 "C30H42O15" "O15" "CHO" 30 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.25382275216 641.24509422214 2.2609096412569 2.26 641 640.530524677771 0.469475322229187 10 0.5 1.4 -5 49.4040285134077 45 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +4129.653425 641.2818684 "C31H46O14" "O14" "CHO" 31 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 642.28914485216 641.28147972744 0.605136429787112 0.61 641 640.565807336798 0.434192663201543 9 0.451612903225806 1.48387096774194 -5 49.4068273984308 45 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +2279.785738 643.0953709 "C29H24O17" "O17" "CHO" 29 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.10264735216 643.09407289254 2.01521832796739 2.02 643 642.377284863706 0.622715136294119 18 0.586206896551724 0.827586206896552 1 49.5462576419 46 0.9 60 0.4 0 0 0 0 0 0 "Unambiguous" +17156.146769 643.1319685 "C30H28O16" "O16" "CHO" 30 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.13924495216 643.13045839784 2.34437223285005 2.34 643 642.413841598499 0.58615840150128 17 0.533333333333333 0.933333333333333 1 49.5490565269231 46 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +19509.165106 643.1523974 "C27H32O18" "O18" "CHO" 27 32 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.15967385216 643.15158777004 1.25687774770096 1.26 643 642.434247687407 0.565752312593418 12 0.666666666666667 1.18518518518519 -6 49.5506818632462 45 0.9 56 0.6 0 0 0 0 0 0 "Unambiguous" +17035.936719 643.1686279 "C31H32O15" "O15" "CHO" 31 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.17590435216 643.16684390314 2.76942500964962 2.77 643 642.450460064285 0.549539935714733 16 0.483870967741935 1.03225806451613 1 49.5518554119461 46 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +25598.274257 643.1894005 "C28H36O17" "O17" "CHO" 28 36 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.19667695216 643.18797327534 2.21551074568094 2.22 643 642.471209469415 0.528790530585411 11 0.607142857142857 1.28571428571429 -6 49.5534807482692 45 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +19138.56262 643.2042158 "C32H36O14" "O14" "CHO" 32 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.21149225216 643.20322940844 1.53116107360344 1.53 643 642.486008226518 0.513991773481735 15 0.4375 1.125 1 49.5546542969692 46 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +9357.108354 643.2254147 "C29H40O16" "O16" "CHO" 29 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.23269115216 643.22435878064 1.63903411677782 1.64 643 642.507183455637 0.492816544362995 10 0.551724137931034 1.37931034482759 -6 49.5562796332923 45 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +23561.436837 643.2402983 "C33H40O13" "O13" "CHO" 33 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.24757475216 643.23961491374 1.06075100128426 1.06 643 642.522050436476 0.47794956352368 14 0.393939393939394 1.21212121212121 1 49.5574531819923 46 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +6825.055394 643.2767578 "C34H44O12" "O12" "CHO" 34 44 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 644.28403425216 643.27600041904 1.17553892352195 1.18 643 642.558469225473 0.441530774526996 13 0.352941176470588 1.29411764705882 1 49.5602520670154 46 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +32455.887804 645.1473313 "C30H30O16" "O16" "CHO" 30 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 646.15460775216 645.14610846164 1.89248570754591 1.89 645 644.426954026392 0.573045973608032 16 0.533333333333333 1 0 49.7041065318308 46 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +34877.772606 645.1842666 "C31H34O15" "O15" "CHO" 31 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 646.19154305216 645.18249396694 2.74320064856803 2.74 645 644.463848084106 0.536151915894038 15 0.483870967741935 1.09677419354839 0 49.7069054168538 46 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +5602.89808 645.1996239 "C35H34O12" "O12" "CHO" 35 34 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 646.20690035216 645.19775010004 2.89969042261783 2.9 645 644.479188236008 0.520811763992469 19 0.342857142857143 0.971428571428571 7 49.7080789655538 47 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +41977.051766 645.2205248 "C32H38O14" "O14" "CHO" 32 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 646.22780125216 645.21887947224 2.54604917463174 2.55 645 644.500065797876 0.499934202124109 14 0.4375 1.1875 0 49.7097043018769 46 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +11093.08987 647.1267197 "C29H28O17" "O17" "CHO" 29 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 648.13399615216 647.12537302014 2.07778000832553 2.08 647 646.404132223621 0.595867776378668 16 0.586206896551724 0.96551724137931 -1 49.8563576517154 46 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +25933.158274 647.1632787 "C30H32O16" "O16" "CHO" 30 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 648.17055515216 647.16175852544 2.34533109834199 2.35 647 646.440650401515 0.559349598484573 15 0.533333333333333 1.06666666666667 -1 49.8591565367385 46 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +28424.310683 647.1998397 "C31H36O15" "O15" "CHO" 31 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 648.20711615216 647.19814403074 2.61593743382792 2.62 647 646.477170577176 0.522829422823861 14 0.483870967741935 1.16129032258065 -1 49.8619554217615 46 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +26028.626515 647.2355658 "C32H40O14" "O14" "CHO" 32 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 648.24284225216 647.23452953604 1.59857370184205 1.6 647 646.512856785094 0.487143214906155 13 0.4375 1.25 -1 49.8647543067846 46 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +8911.200237 647.2716705 "C33H44O13" "O13" "CHO" 33 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 648.27894695216 647.27091504134 1.16532962172428 1.17 647 646.548921170263 0.45107882973673 12 0.393939393939394 1.33333333333333 -1 49.8675531918077 46 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +2778.440911 647.345038 "C35H52O11" "O11" "CHO" 35 52 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 648.35231445216 647.34368605194 2.08520588264008 2.09 647 646.622206747457 0.377793252542688 10 0.314285714285714 1.48571428571429 -1 49.8731509618538 46 0.9 72 0.7 0 0 0 0 0 0 "Unambiguous" +23509.987686 649.1421147 "C29H30O17" "O17" "CHO" 29 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 650.14939115216 649.14102308394 1.67902342880276 1.68 649 648.41727681556 0.582723184440283 15 0.586206896551724 1.03448275862069 -2 50.0114076566231 46 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +8772.111515 649.1932675 "C34H34O13" "O13" "CHO" 34 34 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 650.20054395216 649.19266472234 0.927064219799425 0.93 649 648.468372497886 0.531627502113679 18 0.382352941176471 1 5 50.0153800903462 47 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +55754.999721 649.2146842 "C31H38O15" "O15" "CHO" 31 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 650.22196065216 649.21379409454 1.36892555739528 1.37 649 648.489765283808 0.510234716192372 13 0.483870967741935 1.2258064516129 -2 50.0170054266692 46 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +4236.719388 649.2305121 "C35H38O12" "O12" "CHO" 35 38 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 650.23778855216 649.22905022764 2.24821194005219 2.25 649 648.505575510233 0.494424489766743 17 0.342857142857143 1.08571428571429 5 50.0181789753692 47 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +18205.616789 649.2517619 "C32H42O14" "O14" "CHO" 32 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 650.25903835216 649.25017959984 2.4333382033048 2.43 649 648.526801582517 0.473198417483331 12 0.4375 1.3125 -2 50.0198043116923 46 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +4499.615759 649.2869977 "C33H46O13" "O13" "CHO" 33 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 650.29427415216 649.28656510514 0.665229384992043 0.67 649 648.561998037908 0.438001962092358 11 0.393939393939394 1.39393939393939 -2 50.0226031967154 46 0.9 68 0.7 0 0 0 0 0 0 "Unambiguous" +5469.039843 651.1210736 "C28H28O18" "O18" "CHO" 28 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 652.12835005216 651.12028764244 1.20521912599015 1.21 651 650.394025992373 0.605974007627196 15 0.642857142857143 1 -3 50.1636587765077 46 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +22604.769916 651.1584234 "C29H32O17" "O17" "CHO" 29 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 652.16569985216 651.15667314774 2.68375392996569 2.68 651 650.431334087252 0.568665912747633 14 0.586206896551724 1.10344827586207 -3 50.1664576615308 46 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +23315.688993 651.1938435 "C30H36O16" "O16" "CHO" 30 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 652.20111995216 651.19305865304 1.20338180347952 1.2 651 650.466714636852 0.533285363147684 13 0.533333333333333 1.2 -3 50.1692565465538 46 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +8907.285886 651.209995 "C34H36O13" "O13" "CHO" 34 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 652.21727145216 651.20831478614 2.57615664836034 2.58 651 650.482848101943 0.517151898056795 17 0.382352941176471 1.05882352941176 4 50.1704300952538 47 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +31704.988446 651.2309608 "C31H40O15" "O15" "CHO" 31 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 652.23823725216 651.22944415834 2.32528786785303 2.33 651 650.503790491344 0.49620950865642 12 0.483870967741935 1.29032258064516 -3 50.1720554315769 46 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +23760.892728 651.2671718 "C32H44O14" "O14" "CHO" 32 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 652.27444825216 651.26582966364 2.05762522752652 2.06 651 650.539961057818 0.46003894218245 11 0.4375 1.375 -3 50.1748543166 46 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +12763.83917 653.136867 "C28H30O18" "O18" "CHO" 28 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.14414345216 653.13593770624 1.4206253611095 1.42 653 652.407568539454 0.592431460545868 14 0.642857142857143 1.07142857142857 -4 50.3187087814154 46 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +5521.653876 653.153085 "C32H30O15" "O15" "CHO" 32 30 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.16036145216 653.15119383934 2.89097409675113 2.89 653 652.42376843029 0.576231569709535 18 0.46875 0.9375 3 50.3198823301154 47 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +17420.885763 653.1731551 "C29H34O17" "O17" "CHO" 29 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.18043155216 653.17232321154 1.27164986899741 1.27 653 652.443816119837 0.556183880162507 13 0.586206896551724 1.17241379310345 -4 50.3215076664385 46 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +20957.869201 653.1889886 "C33H34O14" "O14" "CHO" 33 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.19626505216 653.18757934464 2.15417824180412 2.15 653 652.45963194001 0.540368059990101 17 0.424242424242424 1.03030303030303 3 50.3226812151385 47 0.9 68 0.5 654.1918832 5586.680609 0 0 0 0 "Unambiguous" +2928.083565 653.2258812 "C34H38O13" "O13" "CHO" 34 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.23315765216 653.22396484994 2.9291545951164 2.93 653 652.496483345403 0.503516654596865 16 0.382352941176471 1.11764705882353 3 50.3254801001615 47 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +15857.797449 653.2466614 "C31H42O15" "O15" "CHO" 31 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.25393785216 653.24509422214 2.39536633918579 2.4 653 652.517240342046 0.482759657953807 11 0.483870967741935 1.35483870967742 -4 50.3271054364846 46 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +8251.6486 653.2826706 "C32H46O14" "O14" "CHO" 32 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 654.28994705216 653.28147972744 1.82009912474585 1.82 653 652.553209333852 0.446790666148217 10 0.4375 1.4375 -4 50.3299043215077 46 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +3721.922694 655.0955137 "C30H24O17" "O17" "CHO" 30 24 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.10279015216 655.09407289254 2.19600873765114 2.2 655 654.364028197051 0.635971802948916 19 0.566666666666667 0.8 2 50.4693345649769 47 0.9 62 0.4 0 0 0 0 0 0 "Unambiguous" +3698.900714 655.1305635 "C31H28O16" "O16" "CHO" 31 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.13783995216 655.13045839784 0.160183049320087 0.16 655 654.399038860131 0.600961139868673 18 0.516129032258065 0.903225806451613 2 50.47213345 47 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +8767.23462 655.1522038 "C28H32O18" "O18" "CHO" 28 32 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.15948025216 655.15158777004 0.938841819073708 0.94 655 654.420654996379 0.579345003620915 13 0.642857142857143 1.14285714285714 -5 50.4737587863231 46 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +8767.223843 655.1679416 "C32H32O15" "O15" "CHO" 32 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.17521805216 655.16684390314 1.67287155904395 1.67 655 654.436375223411 0.563624776589108 17 0.46875 1 2 50.4749323350231 47 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +7375.123311 655.2046778 "C33H36O14" "O14" "CHO" 33 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.21195425216 655.20322940844 2.20720081475132 2.21 655 654.473070403442 0.526929596558148 16 0.424242424242424 1.09090909090909 2 50.4777312200462 47 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +8385.284447 655.2259941 "C30H40O16" "O16" "CHO" 30 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.23327055216 655.22435878064 2.49197874188603 2.49 655 654.494362901471 0.505637098529178 11 0.533333333333333 1.33333333333333 -5 50.4793565563692 46 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +15827.521263 655.2415514 "C34H40O13" "O13" "CHO" 34 40 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.24882785216 655.23961491374 2.95084147644162 2.95 655 654.509902830051 0.490097169949308 15 0.382352941176471 1.17647058823529 2 50.4805301050692 47 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +4213.197689 655.2980819 "C32H48O14" "O14" "CHO" 32 48 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 656.30535835216 655.29712979124 1.45071002083438 1.45 655 654.566370207589 0.433629792410557 9 0.4375 1.5 -5 50.4849543264154 46 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +12588.945264 657.1468692 "C31H30O16" "O16" "CHO" 31 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 658.15414565216 657.14610846164 1.15586654739115 1.16 657 656.413093135174 0.586906864826119 17 0.516129032258065 0.967741935483871 1 50.6271834549077 47 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +3327.304348 657.1686717 "C28H34O18" "O18" "CHO" 28 34 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 658.17594815216 657.16723783384 2.17854536321682 2.18 657 656.434871290308 0.565128709692431 12 0.642857142857143 1.21428571428571 -6 50.6288087912308 46 0.9 58 0.6 0 0 0 0 0 0 "Unambiguous" +18212.756574 657.1844382 "C32H34O15" "O15" "CHO" 32 34 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 658.19171465216 657.18249396694 2.95390084190225 2.95 657 656.450620185293 0.549379814707095 16 0.46875 1.0625 1 50.6299823399308 47 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +4148.963884 657.2041436 "C29H38O17" "O17" "CHO" 29 38 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 658.21142005216 657.20362333914 0.790416033675412 0.79 657 656.470303582067 0.529696417932882 11 0.586206896551724 1.31034482758621 -6 50.6316076762538 46 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +5153.656202 657.2412884 "C30H42O16" "O16" "CHO" 30 42 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 658.24856485216 657.24000884444 1.94387899699437 1.94 657 656.507406905852 0.492593094148333 10 0.533333333333333 1.4 -6 50.6344065612769 46 0.9 62 0.7 0 0 0 0 0 0 "Unambiguous" +5226.773652 657.2558739 "C34H42O13" "O13" "CHO" 34 42 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 658.26315035216 657.25526497754 0.925044125186552 0.93 657 656.521976119552 0.47802388044795 14 0.382352941176471 1.23529411764706 1 50.6355801099769 47 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +3607.745178 659.1259333 "C30H28O17" "O17" "CHO" 30 28 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 660.13320975216 659.12537302014 0.848737575567479 0.85 659 658.38994739452 0.610052605480291 17 0.566666666666667 0.933333333333333 0 50.7794345747923 47 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +16699.997085 659.1634521 "C31H32O16" "O16" "CHO" 31 32 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 660.17072855216 659.16175852544 2.56535845467793 2.57 659 658.427424300692 0.572575699307663 16 0.516129032258065 1.03225806451613 0 50.7822334598154 47 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +22885.963685 659.1996939 "C32H36O15" "O15" "CHO" 32 36 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 660.20697035216 659.19814403074 2.34755058593502 2.35 659 658.463625632775 0.536374367225221 15 0.46875 1.125 0 50.7850323448385 47 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +3650.029984 659.2208359 "C29H40O17" "O17" "CHO" 29 40 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 660.22811235216 659.21927340294 2.36660183153263 2.37 659 658.484744025429 0.515255974571346 10 0.586206896551724 1.37931034482759 -7 50.7866576811615 46 0.9 60 0.7 0 0 0 0 0 0 "Unambiguous" +16381.467167 659.2363838 "C33H40O14" "O14" "CHO" 33 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 660.24366025216 659.23452953604 2.8084540172708 2.81 659 658.500274564505 0.499725435495407 14 0.424242424242424 1.21212121212121 0 50.7878312298615 47 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +6178.147243 659.2708994 "C34H44O13" "O13" "CHO" 34 44 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 660.27817585216 659.27091504134 -0.0236890156510957 0.02 659 658.534751624077 0.46524837592267 13 0.382352941176471 1.29411764705882 0 50.7906301148846 47 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +11863.389475 661.1416916 "C30H30O17" "O17" "CHO" 30 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 662.14896805216 661.14102308394 1.00961579974724 1.01 661 660.403454880794 0.596545119206098 16 0.566666666666667 1 -1 50.9344845797 47 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +5069.452276 661.1580026 "C34H30O14" "O14" "CHO" 34 30 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 662.16527905216 661.15627921704 2.60264772937267 2.6 661 660.419747667786 0.5802523322144 20 0.411764705882353 0.882352941176471 6 50.9356581284 48 0.9 70 0.4 0 0 0 0 0 0 "Unambiguous" +16570.745075 661.1791802 "C31H34O16" "O16" "CHO" 31 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 662.18645665216 661.17740858924 2.67539564150089 2.68 661 660.440901620688 0.559098379311763 15 0.516129032258065 1.09677419354839 -1 50.9372834647231 47 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +25727.976748 661.2153446 "C32H38O15" "O15" "CHO" 32 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 662.22262105216 661.21379409454 2.34136589515492 2.34 661 660.477025639196 0.522974360803914 14 0.46875 1.1875 -1 50.9400823497462 47 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +16763.996066 661.2517053 "C33H42O14" "O14" "CHO" 33 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 662.25898175216 661.25017959984 2.30378175624955 2.3 661 660.513345738514 0.486654261486251 13 0.424242424242424 1.27272727272727 -1 50.9428812347692 47 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +3977.820313 661.2880323 "C34H46O13" "O13" "CHO" 34 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 662.29530875216 661.28656510514 2.21531821333277 2.22 661 660.549632175461 0.450367824538944 12 0.382352941176471 1.35294117647059 -1 50.9456801197923 47 0.9 70 0.7 0 0 0 0 0 0 "Unambiguous" +4160.4783 663.1217859 "C29H28O18" "O18" "CHO" 29 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 664.12906235216 663.12028764244 2.25597349210278 2.26 663 662.381338189809 0.618661810190815 16 0.620689655172414 0.96551724137931 -2 51.0867356995846 47 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +3114.747917 663.1568547 "C30H32O17" "O17" "CHO" 30 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 664.16413115216 663.15667314774 0.273354509161328 0.27 663 662.416367831674 0.583632168326062 15 0.566666666666667 1.06666666666667 -2 51.0895345846077 47 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +2608.058758 663.1736867 "C34H32O14" "O14" "CHO" 34 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 664.18096315216 663.17192928084 2.64599447659154 2.65 663 662.433181036912 0.566818963087712 19 0.411764705882353 0.941176470588235 5 51.0907081333077 48 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +21557.775044 663.1948543 "C31H36O16" "O16" "CHO" 31 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 664.20213075216 663.19305865304 2.70346461843363 2.7 663 662.454325000981 0.545674999018956 14 0.516129032258065 1.16129032258065 -2 51.0923334696308 47 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +2441.778894 663.2065039 "C35H36O13" "O13" "CHO" 35 36 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 664.21378035216 663.20831478614 -2.72636038811518 2.73 663 662.465961592934 0.534038407066419 18 0.371428571428571 1.02857142857143 5 51.0935070183308 48 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +23696.365644 663.2674714 "C33H44O14" "O14" "CHO" 33 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 664.27474785216 663.26582966364 2.47147188004866 2.47 663 662.526861016078 0.473138983921558 12 0.424242424242424 1.33333333333333 -2 51.0979312396769 47 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +4656.83018 665.1365874 "C29H30O18" "O18" "CHO" 29 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 666.14386385216 665.13593770624 0.975305478689569 0.98 665 664.393889944455 0.606110055545059 15 0.620689655172414 1.03448275862069 -3 51.2417857044923 47 0.9 60 0.5 0 0 0 0 0 0 "Unambiguous" +9297.991308 665.1742454 "C30H34O17" "O17" "CHO" 30 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 666.18152185216 665.17232321154 2.88538243259419 2.89 665 664.431505895196 0.568494104804245 14 0.566666666666667 1.13333333333333 -3 51.2445845895154 47 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +16731.237419 665.2093123 "C31H38O16" "O16" "CHO" 31 38 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 666.21658875216 665.20870871684 0.905986386695541 0.91 665 664.466533639182 0.533466360818124 13 0.516129032258065 1.2258064516129 -3 51.2473834745385 47 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +6486.315707 665.225301 "C35H38O13" "O13" "CHO" 35 38 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 666.23257745216 665.22396484994 2.00553095897167 2.01 665 664.482504486057 0.517495513943459 17 0.371428571428571 1.08571428571429 4 51.2485570232385 48 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +7972.568162 665.2466105 "C32H42O15" "O15" "CHO" 32 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 666.25388695216 665.24509422214 2.27582591214272 2.28 665 664.503790191678 0.49620980832151 12 0.46875 1.3125 -3 51.2501823595615 47 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +9365.084741 665.2831674 "C33H46O14" "O14" "CHO" 33 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 666.29044385216 665.28147972744 2.53293826378002 2.53 665 664.540306271917 0.459693728082584 11 0.424242424242424 1.39393939393939 -3 51.2529812445846 47 0.9 68 0.7 0 0 0 0 0 0 "Unambiguous" +6965.696528 667.1169305 "C28H28O19" "O19" "CHO" 28 28 19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.12420695216 667.11520226474 2.58669756609905 2.59 667 666.372021775658 0.627978224342087 15 0.678571428571429 1 -4 51.3940368243769 47 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" +7044.473902 667.1321716 "C32H28O16" "O16" "CHO" 32 28 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.13944805216 667.13045839784 2.56413861652821 2.56 667 666.387245857309 0.612754142690505 19 0.5 0.875 3 51.3952103730769 48 0.9 66 0.4 0 0 0 0 0 0 "Unambiguous" +6153.699022 667.1678604 "C33H32O15" "O15" "CHO" 33 32 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.17513685216 667.16684390314 1.52130302971701 1.52 667 666.422894806877 0.57710519312343 18 0.454545454545455 0.96969696969697 3 51.3980092581 48 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +17183.300836 667.1898683 "C30H36O17" "O17" "CHO" 30 36 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.19714475216 667.18797327534 2.83602627594683 2.84 667 666.444878132659 0.5551218673412 13 0.566666666666667 1.2 -4 51.3996345944231 47 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +9749.250505 667.2043591 "C34H36O14" "O14" "CHO" 34 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.21163555216 667.20322940844 1.69061940856752 1.69 667 666.459352752102 0.540647247897937 17 0.411764705882353 1.05882352941176 3 51.4008081431231 48 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +15774.670781 667.2259713 "C31H40O16" "O16" "CHO" 31 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.23324775216 667.22435878064 2.41310854458075 2.41 667 666.480940819726 0.51905918027353 12 0.516129032258065 1.29032258064516 -4 51.4024334794462 47 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +3496.998457 667.2615228 "C32H44O15" "O15" "CHO" 32 44 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 668.26879925216 667.26074428594 1.16497143198589 1.16 667 666.516452622604 0.483547377396008 11 0.46875 1.375 -4 51.4052323644692 47 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +4573.850848 669.1318748 "C28H30O19" "O19" "CHO" 28 30 19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 670.13915125216 669.13085232854 1.52575992315695 1.53 669 668.384716170852 0.615283829148211 14 0.678571428571429 1.07142857142857 -5 51.5490868292846 47 0.9 58 0.5 0 0 0 0 0 0 "Unambiguous" 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0.620689655172414 1.31034482758621 -7 51.8619857241231 47 0.9 60 0.6 0 0 0 0 0 0 "Unambiguous" +9459.323127 673.2152235 "C33H38O15" "O15" "CHO" 33 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 674.22249995216 673.21379409454 2.12007973633607 2.12 673 672.463505367214 0.536494632785548 15 0.454545454545455 1.15151515151515 0 51.8631592728231 48 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +5523.357603 673.2507996 "C34H42O14" "O14" "CHO" 34 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 674.25807605216 673.25017959984 0.919529453362263 0.92 673 672.499041742623 0.50095825737651 14 0.411764705882353 1.23529411764706 0 51.8659581578462 48 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +5734.96587 673.2718915 "C31H46O16" "O16" "CHO" 31 46 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 674.27916795216 673.27130897204 0.863926972355483 0.86 673 672.520110091219 0.479889908780592 9 0.516129032258065 1.48387096774194 -7 51.8675834941692 47 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +2521.995994 673.2884054 "C35H46O13" "O13" "CHO" 35 46 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 674.29568185216 673.28656510514 2.72921050741713 2.73 673 672.536605551651 0.463394448348822 13 0.371428571428571 1.31428571428571 0 51.8687570428692 48 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +26985.706328 675.1947724 "C32H36O16" "O16" "CHO" 32 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 676.20204885216 675.19305865304 2.53437114386851 2.53 675 674.440843885228 0.559156114771667 15 0.5 1.125 -1 52.0154103927077 48 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +19197.113288 675.2303505 "C33H40O15" "O15" "CHO" 33 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 676.23762695216 675.22944415834 1.34027096962217 1.34 675 674.476382258404 0.523617741596013 14 0.454545454545455 1.21212121212121 -1 52.0182092777308 48 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +9629.438099 677.1358341 "C30H30O18" "O18" "CHO" 30 30 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 678.14311055216 677.13593770624 -0.152779315191061 0.15 677 676.379738178393 0.620261821606618 16 0.6 1 -2 52.1648626275692 48 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +4240.657849 677.1738721 "C31H34O17" "O17" "CHO" 31 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 678.18114855216 677.17232321154 2.28388604342573 2.28 677 676.417733704823 0.582266295177192 15 0.548387096774194 1.09677419354839 -2 52.1676615125923 48 0.9 64 0.5 0 0 0 0 0 0 "Unambiguous" +14316.803311 677.2101077 "C32H38O16" "O16" "CHO" 32 38 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 678.21738415216 677.20870871684 2.0627356253401 2.06 677 676.453928843828 0.546071156171934 14 0.5 1.1875 -2 52.1704603976154 48 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +8915.256969 677.2451124 "C33H42O15" "O15" "CHO" 33 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 678.25238885216 677.24509422214 0.0268010262183895 0.03 677 676.488894457267 0.511105542732594 13 0.454545454545455 1.27272727272727 -2 52.1732592826385 48 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +5020.644029 679.1528554 "C30H32O18" "O18" "CHO" 30 32 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 680.16013185216 679.15158777004 1.86372282150632 1.86 679 678.394507254391 0.605492745609354 15 0.6 1.06666666666667 -3 52.3199126324769 48 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +10628.342081 679.2039355 "C35H36O14" "O14" "CHO" 35 36 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 680.21121195216 679.20322940844 1.03804751759174 1.04 679 678.445530317895 0.554469682105491 18 0.4 1.02857142857143 4 52.3238850662 49 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +10681.188176 679.2262214 "C32H40O16" "O16" "CHO" 32 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 680.23349785216 679.22435878064 2.73820587463199 2.74 679 678.46779133326 0.532208666740416 13 0.5 1.25 -3 52.3255104025231 48 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +3737.83788 679.2625063 "C33H44O15" "O15" "CHO" 33 44 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 680.26978275216 679.26074428594 2.59016952504133 2.59 679 678.504035717216 0.495964282783916 12 0.454545454545455 1.33333333333333 -3 52.3283092875461 48 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +2691.219149 679.2982101 "C34H48O14" "O14" "CHO" 34 48 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 680.30548655216 679.29712979124 1.58797596284728 1.59 679 678.539699650034 0.460300349965905 11 0.411764705882353 1.41176470588235 -3 52.3311081725692 48 0.9 70 0.7 0 0 0 0 0 0 "Unambiguous" +4696.979808 681.1464849 "C33H30O16" "O16" "CHO" 33 30 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 682.15376135216 681.14610846164 0.551837989267057 0.55 681 680.385910649881 0.614089350119343 19 0.484848484848485 0.909090909090909 3 52.4733373010615 49 0.9 68 0.4 0 0 0 0 0 0 "Unambiguous" +2812.313754 681.1679934 "C30H34O18" "O18" "CHO" 30 34 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 682.17526985216 681.16723783384 1.10758362757321 1.11 681 680.407395133297 0.592604866702573 14 0.6 1.13333333333333 -4 52.4749626373846 48 0.9 62 0.5 0 0 0 0 0 0 "Unambiguous" +23766.565844 681.2048942 "C31H38O17" "O17" "CHO" 31 38 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 682.21217065216 681.20362333914 1.86285281132253 1.86 681 680.444254729534 0.555745270465536 13 0.548387096774194 1.2258064516129 -4 52.4777615224077 48 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +5304.390646 681.2413458 "C32H42O16" "O16" "CHO" 32 42 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 682.24862225216 681.24000884444 1.95963101479109 1.96 681 680.480665627352 0.519334372647791 12 0.5 1.3125 -4 52.4805604074308 48 0.9 66 0.6 0 0 0 0 0 0 "Unambiguous" +6689.805385 683.1843059 "C30H36O18" "O18" "CHO" 30 36 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 684.19158235216 683.18288789764 2.07252237042735 2.07 683 682.421456200747 0.578543799252998 13 0.6 1.2 -5 52.6300126422923 48 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +3973.985227 683.2354282 "C35H40O14" "O14" "CHO" 35 40 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 684.24270465216 683.23452953604 1.31337017392403 1.31 683 682.47252141713 0.52747858286989 16 0.4 1.14285714285714 2 52.6339850760154 49 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +8289.563844 683.2570781 "C32H44O16" "O16" "CHO" 32 44 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 684.26435455216 683.25565890824 2.07404017251998 2.07 683 682.494147142658 0.505852857341665 11 0.5 1.375 -5 52.6356104123385 48 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +3868.153654 685.1421444 "C32H30O17" "O17" "CHO" 32 30 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 686.14942085216 685.14102308394 1.63421555993015 1.63 685 684.377108560787 0.622891439212594 18 0.53125 0.9375 1 52.7806384258538 49 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +6582.26679 685.1787235 "C33H34O16" "O16" "CHO" 33 34 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 686.18599995216 685.17740858924 1.91625996465585 1.92 685 684.413646816238 0.586353183762412 17 0.484848484848485 1.03030303030303 1 52.7834373108769 49 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +4256.211227 685.199009 "C30H38O18" "O18" "CHO" 30 38 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 686.20628545216 685.19853796144 0.686438714016236 0.69 685 684.433909665267 0.566090334732962 12 0.6 1.26666666666667 -6 52.7850626472 48 0.9 62 0.6 0 0 0 0 0 0 "Unambiguous" +8679.249788 685.2145833 "C34H38O15" "O15" "CHO" 34 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 686.22185975216 685.21379409454 1.15007333079525 1.15 685 684.449466574864 0.550533425135541 16 0.441176470588235 1.11764705882353 1 52.7862361959 49 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +3694.625255 685.2515765 "C35H42O14" "O14" "CHO" 35 42 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 686.25885295216 685.25017959984 2.03552952955495 2.04 685 684.486418467927 0.51358153207309 15 0.4 1.2 1 52.7890350809231 49 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +3781.528714 685.3082341 "C33H50O15" "O15" "CHO" 33 50 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 686.31551055216 685.30769447734 0.786260330399605 0.79 685 684.543012803545 0.45698719645543 9 0.454545454545455 1.51515151515152 -6 52.7934593022692 48 0.9 68 0.7 0 0 0 0 0 0 "Unambiguous" +3971.74679 687.1223474 "C31H28O18" "O18" "CHO" 31 28 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 688.12962385216 687.12028764244 2.9932697105444 2.99 687 686.355100448427 0.644899551572735 18 0.580645161290323 0.903225806451613 0 52.9328895457385 49 0.9 64 0.4 0 0 0 0 0 0 "Unambiguous" +8773.770981 687.193798 "C33H36O16" "O16" "CHO" 33 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 688.20107445216 687.19305865304 1.07431822974991 1.07 687 686.426471266049 0.57352873395098 16 0.484848484848485 1.09090909090909 0 52.9384873157846 49 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +2546.89875 687.2678214 "C35H44O14" "O14" "CHO" 35 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 688.27509785216 687.26582966364 2.8938085457171 2.89 687 686.500412010859 0.499587989140764 14 0.4 1.25714285714286 0 52.9440850858308 49 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +10963.017027 689.1735075 "C32H34O17" "O17" "CHO" 32 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 690.18078395216 689.17232321154 1.71591050869231 1.72 689 688.403970204735 0.596029795264599 16 0.53125 1.0625 -1 53.0907384356692 49 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +3627.511668 689.1874828 "C36H34O14" "O14" "CHO" 36 34 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 690.19475925216 689.18757934464 -0.139880285497713 0.14 689 688.417929899791 0.582070100209421 20 0.388888888888889 0.944444444444444 6 53.0919119843692 50 0.9 74 0.5 0 0 0 0 0 0 "Unambiguous" +4263.374328 689.2827645 "C35H46O14" "O14" "CHO" 35 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 690.29004095216 689.28147972744 1.8612068605421 1.86 689 688.513105207393 0.486894792606904 13 0.4 1.31428571428571 -1 53.0991350907385 49 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +2960.693334 691.2257376 "C33H40O16" "O16" "CHO" 33 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 692.23301405216 691.22435878064 1.99184282166114 1.99 691 690.453908766272 0.546091233728021 14 0.484848484848485 1.21212121212121 -2 53.2485873256 49 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +2543.032633 693.2199726 "C36H38O14" "O14" "CHO" 36 38 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 694.22724905216 693.21887947224 1.57459644731472 1.57 693 692.445916985655 0.554083014344656 18 0.388888888888889 1.05555555555556 4 53.4020119941846 50 0.9 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695.25565890824 1.51234557246027 1.51 695 694.480382044357 0.519617955642502 12 0.484848484848485 1.33333333333333 -4 53.5586873354154 49 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +2466.681694 697.2000312 "C31H38O18" "O18" "CHO" 31 38 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 698.20730765216 697.19853796144 2.13867506646799 2.14 697 696.421531416666 0.578468583333688 13 0.580645161290323 1.2258064516129 -5 53.7081395702769 49 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +10099.490115 697.2151562 "C35H38O15" "O15" "CHO" 35 38 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 698.22243265216 697.21379409454 1.95081881686528 1.95 697 696.436639527956 0.563360472043769 17 0.428571428571429 1.08571428571429 2 53.7093131189769 50 0.9 72 0.5 0 0 0 0 0 0 "Unambiguous" +8074.634913 699.1576835 "C33H32O17" "O17" "CHO" 33 32 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 700.16495995216 699.15667314774 1.44302031345736 1.44 699 698.376997784619 0.623002215380779 18 0.515151515151515 0.96969696969697 1 53.8587653538385 50 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +3105.827146 699.1946476 "C34H36O16" "O16" "CHO" 34 36 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 700.20192405216 699.19305865304 2.26926962848051 2.27 699 698.413920610175 0.586079389824931 17 0.470588235294118 1.05882352941176 1 53.8615642388615 50 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +2301.710261 699.2136543 "C31H40O18" "O18" "CHO" 31 40 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 700.22093075216 699.21418802524 -0.762224058895239 0.76 699 698.432906087124 0.567093912875976 12 0.580645161290323 1.29032258064516 -6 53.8631895751846 49 0.9 64 0.6 0 0 0 0 0 0 "Unambiguous" +9471.848758 699.2313354 "C35H40O15" "O15" "CHO" 35 40 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 700.23861185216 699.22944415834 2.70085314920915 2.7 699 698.45056744425 0.549432555750172 16 0.428571428571429 1.14285714285714 1 53.8643631238846 50 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +3933.424199 699.2517738 "C32H44O17" "O17" "CHO" 32 44 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 700.25905025216 699.25057353054 1.71403634066844 1.71 699 698.47098302255 0.529016977450169 11 0.53125 1.375 -6 53.8659884602077 49 0.9 66 0.7 0 0 0 0 0 0 "Unambiguous" +6044.7183 699.267365 "C36H44O14" "O14" "CHO" 36 44 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 700.27464145216 699.26582966364 2.19247744973771 2.19 699 698.486556813277 0.513443186723407 15 0.388888888888889 1.22222222222222 1 53.8671620089077 50 0.9 74 0.6 0 0 0 0 0 0 "Unambiguous" +2465.190318 701.1738845 "C33H34O17" "O17" "CHO" 33 34 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 702.18116095216 701.17232321154 2.22348383417401 2.22 701 700.390947476571 0.609052523429227 17 0.515151515151515 1.03030303030303 0 54.0138153587462 50 0.9 68 0.5 0 0 0 0 0 0 "Unambiguous" +4308.540918 701.2107714 "C34H38O16" "O16" "CHO" 34 38 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 702.21804785216 701.20870871684 2.9373827208556 2.94 701 700.427793188329 0.572206811671322 16 0.470588235294118 1.11764705882353 0 54.0166142437692 50 0.9 70 0.5 0 0 0 0 0 0 "Unambiguous" +2901.567795 701.2306228 "C31H42O18" "O18" "CHO" 31 42 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 702.23789925216 701.22983808904 1.11744319249798 1.12 701 700.447622422078 0.552377577921902 11 0.580645161290323 1.35483870967742 -7 54.0182395800923 49 0.9 64 0.7 0 0 0 0 0 0 "Unambiguous" +3733.701454 701.283295 "C36H46O14" "O14" "CHO" 36 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 702.29057145216 701.28147972744 2.58478845330151 2.58 701 700.500235807829 0.499764192171028 14 0.388888888888889 1.27777777777778 0 54.0222120138154 50 0.9 74 0.6 0 0 0 0 0 0 "Unambiguous" +4572.167761 701.3039271 "C33H50O16" "O16" "CHO" 33 50 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 702.31120355216 701.30260909964 1.87666144773044 1.88 701 700.520844869842 0.479155130158119 9 0.484848484848485 1.51515151515152 -7 54.0238373501385 49 0.9 68 0.7 0 0 0 0 0 0 "Unambiguous" +3487.310261 703.2260094 "C34H40O16" "O16" "CHO" 34 40 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 704.23328585216 703.22435878064 2.34385308542997 2.34 703 702.440780955575 0.55921904442539 15 0.470588235294118 1.17647058823529 -1 54.1716642486769 50 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +4243.525852 703.2618429 "C35H44O15" "O15" "CHO" 35 44 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 704.26911935216 703.26074428594 1.55993501616836 1.56 703 702.476574443568 0.523425556431562 14 0.428571428571429 1.25714285714286 -1 54.1744631337 50 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +3861.579128 705.2047622 "C33H38O17" "O17" "CHO" 33 38 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 706.21203865216 705.20362333914 1.61263303041902 1.61 705 704.417324262521 0.582675737479235 15 0.515151515151515 1.15151515151515 -2 54.3239153685615 50 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +4307.801319 705.2779483 "C35H46O15" "O15" "CHO" 35 46 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 706.28522475216 705.27639434974 2.20017381883739 2.2 705 704.490428642268 0.509571357732284 13 0.428571428571429 1.31428571428571 -2 54.3295131386077 50 0.9 72 0.6 0 0 0 0 0 0 "Unambiguous" +2170.251962 707.184931 "C32H36O18" "O18" "CHO" 32 36 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 708.19220745216 707.18288789764 2.88495459080611 2.88 707 706.395281988349 0.604718011651244 15 0.5625 1.125 -3 54.4761664884461 50 0.9 66 0.5 0 0 0 0 0 0 "Unambiguous" +4927.806914 707.2211125 "C33H40O17" "O17" "CHO" 33 40 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 708.22838895216 707.21927340294 2.59675704704446 2.6 707 706.431423087763 0.568576912237404 14 0.515151515151515 1.21212121212121 -3 54.4789653734692 50 0.9 68 0.6 0 0 0 0 0 0 "Unambiguous" +4854.113767 713.2454973 "C36H42O15" "O15" "CHO" 36 42 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 714.25277375216 713.24509422214 0.564335029335145 0.56 713 712.449081005876 0.550918994124459 16 0.416666666666667 1.16666666666667 1 54.9424900518692 51 0.9 74 0.6 0 0 0 0 0 0 "Unambiguous" +2192.157702 713.2823022 "C37H46O14" "O14" "CHO" 37 46 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 714.28957865216 713.28147972744 1.1514553545006 1.15 713 712.485844809195 0.514155190804559 15 0.378378378378378 1.24324324324324 1 54.9452889368923 51 0.9 76 0.6 0 0 0 0 0 0 "Unambiguous" +2285.935455 717.2777571 "C36H46O15" "O15" "CHO" 36 46 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 718.28503355216 717.27639434974 1.89722769716451 1.9 717 716.47683834856 0.523161651439636 14 0.416666666666667 1.27777777777778 -1 55.2525900616846 51 0.9 74 0.6 0 0 0 0 0 0 "Unambiguous" +2436.621534 719.2196236 "C34H40O17" "O17" "CHO" 34 40 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 720.22690005216 719.21927340294 0.486231574905687 0.49 719 718.416536543079 0.583463456921436 15 0.5 1.17647058823529 -2 55.4020422965462 51 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +2662.216788 721.2366015 "C34H42O17" "O17" "CHO" 34 42 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 722.24387795216 721.23492346674 2.32336100199508 2.32 721 720.431262267537 0.568737732463433 14 0.5 1.23529411764706 -3 55.5570923014538 51 0.9 70 0.6 0 0 0 0 0 0 "Unambiguous" +2359.803648 731.2569237 "C36H44O16" "O16" "CHO" 36 44 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 732.26420015216 731.25565890824 1.72723418647712 1.73 731 730.440395686251 0.559604313749333 15 0.444444444444444 1.22222222222222 -1 56.3279181046462 52 0.9 74 0.6 0 0 0 0 0 0 "Unambiguous" +2084.263775 741.2755615 "C38H46O15" "O15" "CHO" 38 46 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 742.28283795216 741.27639434974 -1.12201131072064 1.12 741 740.447846585781 0.552153414219106 16 0.394736842105263 1.21052631578947 1 57.0987439078385 53 0.9 78 0.6 0 0 0 0 0 0 "Unambiguous"