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Finnigan LCQ Classic peptide fragmentation

Posted: Tue Mar 01, 2016 8:45 am
by zjadlempsa
Hello,

my name is Dorian and i am working in peptide synthesis lab. Lately we aquired LCQ finnigan mat classic. I started conducting fragmentation of peptides to confirm the squence i synthesized. While it is manageable to process ms spectra manualy (with my own eyes), i have big problem with using software.

I downloaded and logged for 30 day trail of 'Mascot Distiller' and when i upload .raw file and use de novo sequencing there is absolutely no correlation between actual sequence and what software predicts. (parent ion mass is 1614 Da, while 1596 is a dehydrated ion software interpretes it as a 2+ ion).
I assumed that until i get more familliar with this software i would use simpler one - MSNovo.

I save .raw file as .dta in mascot distiller, log it on msnovo and there is an error >'3227.9927' is not a valid floating point value<

I am really hopeless right now. Could anybody recomend any simple software to interpret fragmentation from .raw data files?

Regards,

Dorian