Hello
I am a doctoral student I work in phytochemistry, I have results UPLC-MS but I found difficulties in the interpretation of the results. Here is an example of a chromatogram obtained. thanks for the help????
In manual. Send me a chromatogram. I'll try to help you.
Hi, it is OK, we can predict the chemical structure via some on line data bases. At first you should try to find the molecular ion, using adduct or if you used auto MS MS the software can predict the molecular ions. After this you must determine the molecular formula by using isotope pattern, if you have fixed molecular ions, molecular formula, you can see the MS/MS of this molecular ion. You should confirm that the daughter ions originated from the molecular ion by using their Extract ion chromatogram . If you have data of MS/MS you can apply many on line MS data bases such as Metfrag, Metlin, MassBank, CFMID, MzMine etc for predicting our compounds. Best regards
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