Bioinformatics Advance Access originally published online on February 26, 2008
Bioinformatics 2008 24(7):1021-1023; doi:10.1093/bioinformatics/btn063
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DeconMSn: a software tool for accurate parent ion monoisotopic mass determination for tandem mass spectra
Pacific Northwest National Laboratory, Richland, WA 99354, USA
*To whom correspondence should be addressed.
| Abstract |
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Summary: 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/
Contact: rds{at}pnl.gov
Supplementary information: PowerPoint presentation/Poster on http://ncrr.pnl.gov/software/.
Associate Editor: Alfonso Valencia
Received on September 30, 2007; revised on February 8, 2008; accepted on February 16, 2008