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To be able to compute a formula mass, mass list should have been upload in the Load mass list menu.
If you want to obtain the adduct mass of your compound, please define your modifier(s) in the Define modifier menu.
Write a formula in the Enter your formula text box.
The formula can use semi-developped formula or empirical formula.
Click the Submit button to run the mass calculation.
Three information are displayed :
- The total mass of your compound
- The number of different atoms in your compound
- The total number of atom in your compound
This table shows the sub-details of the masses in your compound per atom.
Mass_sum corresponds to the total mass of each different atom considering the number of atom.
Use the show menu to inscrease the number of lines displayed in the view.
You can copy to clipboard or save the table using the Copy, CSV, Excel or PDF buttons.
The resulting adduct masses are displayed in this table if modifier(s) have been previously defined in the Define modifier menu.
RelMass corresponds to the relative mass that has been applied to the compound mass to compute the adduct mass.
AdductMass corresponds to the total mass of the resulting adduct mass.
Note that the resulting adduct mass takes into account the electron removal/addition based on the charge for each adduct.
Use the show menu to inscrease the number of lines displayed in the view.
You can copy to clipboard or save the table using the Copy, CSV, Excel or PDF buttons.