A tool to help you manually discover the depths of your spectra one spectrum at a time. It can load MGF files (only in centroid mode, also do not forget to deconvolute if you have TD data). Once loaded you can select a scan and add you annotation while tweaking the exact settings for generating the annotation. The annotation itself is interactive to help you discover what the spectrum means. Which you can then export as nice images for use in other environments.

Peptide sequence

It uses the ProForma specification to specify the sequence, it does not handle every last detail of this specification yet, for details see rustyms. Here are some examples of valid sequences:

• VAEINPSNGGTTFNEKFKGGKATJ Normal aminoacids
• EM[L-methionine sulfoxide]EVEES[UNIMOD:21]PEK Modifications using unimod and PSI-MOD
• TFNEKF[+15.9949]KGGKATJ Modifications using raw masses
• TFNEKF[Formula:O]KGGKATJ Modifications using elemental formula
• TFNEKF[Glycan:HexNAc1Hex2]KGGKATJ Modifications glycan compositions
• [+16]-TFNEKFKGGKATJ-[Methyl] Terminal modifications
• <15N>TFNEKFKGGKATJ Global isotope modifications (all Nitrogen is 15N)
• <[S-carboxamidomethyl-L-cysteine]@C>AVYYCSRWGGDGFYAMDYWGQG Global modifications (all C are carboxamidomethylated)
• [UNIMOD:374]?TFNEKFCKGGCKATJ Modifications where the location is unknown
• TFNEKFC[UNIMOD:374#g1]KGGC[#g1]KATJ (identical to the one above)
• TFNEKF(CKGGCK)[UNIMOD:374#g1]ATJ (identical to the one above)
• VAEINPSNGGTT+FNEKFKGGKATJ Multimeric spectra, meaning two separate peptides are in your spectrum at the same time
• VAEINPSNGGTT/2[1Na+,1H+] Defined charge and adduct ions

Installing

Using winget

On windows use winget install --id Snijderlab.Annotator.

From binary

See releases for the latest release, here you will also find the prebuilt binaries for your architecture.

From source

To build from source. Clone the repository. And build with cargo. Make sure you have installed Rust and Tauri beforehand.