Dear all,
Can anyone recommend a good software/database to obtain predicted data about MS2 fragments in gas-phase chromatography?
Cheers!
Hi Mario,
do you know MS Fragmenter from ACD?
https://www.acdlabs.com/products/adh/ms/ms_frag/
Regards
Markus
You may refer to library data base containing spectral characteristics of many different compounds.
Dear Shrikaant Kulkarni ,
Thank you for the suggestion, however I'm interested in tandem MS fragmentation. I'm running it for some compounds (SRM) and am having a real hard time in explaining the fragmentation products. Needed some hints.
Dear Silva,
for explaining fragmentation is not specific for MS/MS it is MS interpretation. In a theoretical way the book of McLafferty is a starting book. For proving that a fragmentation is happening you need to confirm it with labelled compounds.
best regards
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