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Bioinformatics. 2008 Apr 1;24(7):1021-3. doi: 10.1093/bioinformatics/btn063. Epub 2008 Feb 26.

DeconMSn: a software tool for accurate parent ion monoisotopic mass determination for tandem mass spectra.

Author information

1
Pacific Northwest National Laboratory, Richland, WA 99354, USA.

Abstract

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 Scientific's 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.

AVAILABILITY:

http://ncrr.pnl.gov/software/ or http://www.proteomicsresource.org/.

PMID:
18304935
PMCID:
PMC2720627
DOI:
10.1093/bioinformatics/btn063
[Indexed for MEDLINE]
Free PMC Article

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