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

ABSTRACT:

Unlabelled

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

SUBMITTER: Mayampurath AM 

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

REPOSITORIES: biostudies-literature