Metabolomics Society Forum

Scientific themes => Compound identification => Topic started by: Mary on July 20, 2015, 03:18:57 AM

Title: DataDependentScan analysis - screening for fragment ion
Post by: Mary on July 20, 2015, 03:18:57 AM
Dear All,
I have one emerging question regarding analysis of DDA raw files done with Orbitrap XL.
I have found one interesting fragment ion (not precursor, just one fragment), that repeats in many MS2 spectras along all retention time. I wish to screen  whole raw file in order to look for that fragment, as it is probably related to one metabolite-marker in my study.
I have MassFrontier 7.0, Sieve and XCalibur - which of them  would be the most suitable, and how to do it? Which option to use?
I was desperately looking for some on-line manual videos, or any step-by-step explanations, however could not find any.

I would be very appreciated for any help.
thank you
Marynka