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

• DOI: 10.1093/bioinformatics/btn063
• Publication Date: 2008-02-28T01:14:32Z
• Authors: Anoop M. Mayampurath; Navdeep Jaitly; Samuel O. Purvine; Matthew E. Monroe; Kenneth J. Auberry; Joshua N. Adkins; Richard D. Smith
• Keywords: Monoisotopic mass

Abstract Summary: DeconMSn accurately determines the monoisotopic mass and charge state of parent ions from high-resolution tandem spectrometry data, offering significant improvement for LTQ_FT LTQ_Orbitrap instruments over commercially delivered Thermo Fisher Scientific's extract_msn tool. Optimal ion tolerance values can be determined using accurate information, thus improving peptide identifications high-mass measurement accuracy experiments. For low-resolution data LCQ LTQ instruments, incorporates a support-vector-machine-based detection algorithm that identifies most likely species through peak characteristics its fragmentation pattern. Availability: http://ncrr.pnl.gov/software/ or http://www.proteomicsresource.org/ Contact: [e-mail] Supplementary information: PowerPoint presentation/Poster on http://ncrr.pnl.gov/software/.