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

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

SUBMITTER: Mayampurath AM

PROVIDER: S-EPMC2720627 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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

Mayampurath Anoop M AM Jaitly Navdeep N Purvine Samuel O SO Monroe Matthew E ME Auberry Kenneth J KJ Adkins Joshua N JN Smith Richard D RD

Bioinformatics (Oxford, England) 20080226 7

<h4>Unlabelled</h4>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-resolut ...[more]

PMID: 18304935

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