I want to include a search for source induced fragments in mzmine. I tried
adding a loss of water or ammonia in the adduct search box, but none of the
source fragments I know of where identified.
1. I have Mzmine 2.11 installed on Mac OS X, 64 bit; I’m running Java version
1.6.0_65
2. Default script settings
3. Not running any R scripts
4. I added –17.06250 (M-NH3) as an option and checked it. I added –18.01506 as
an option and checked it. Searched for these adducts with 30 and 100% max
relative peak height and expected fragments did not get identified.
5. No error messages were reported, but anticipated peaks were not identified.
An example that should be identified based on my instrument conditions (Thermo
QE) is tryptophan (205.09735) and the source fragment (188.07058).
Thank you very much for your time involved in this.
Tim
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