Journal
BIOINFORMATICS
Volume 24, Issue 7, Pages 1021-1023Publisher
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btn063
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Funding
- NCRR NIH HHS [P41 RR018522, RR018522, P41 RR018522-05] Funding Source: Medline
- NIAID NIH HHS [Y1-AI-4894-01] Funding Source: Medline
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DeconMSn accurately determines the monoisotopic mass and charge state of parent ions from high-resolution tandem mass spectrometry data, offering significant improvement for LTQ_FT and LTQ_Orbitrap instruments over the commercially delivered Thermo Fisher Scientifics extract_msn tool. Optimal parent ion mass tolerance values can be determined using accurate mass information, thus improving peptide identifications for high-mass measurement accuracy experiments. For low-resolution data from LCQ and LTQ instruments, DeconMSn incorporates a support-vector-machine-based charge detection algorithm that identifies the most likely charge of a parent species through peak characteristics of its fragmentation pattern.
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