title: 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.
  
  
  BACKGROUND
  http://ncrr.pnl.gov/software/ or http://www.proteomicsresource.org/.
authors.affiliation: Pacific Northwest National Laboratory, Richland, WA 99354, USA.
authors.forename: Anoop M
authors.initials: AM
authors.lastname: Mayampurath
authors.forename: Navdeep
authors.initials: N
authors.lastname: Jaitly
authors.forename: Samuel O
authors.initials: SO
authors.lastname: Purvine
authors.forename: Matthew E
authors.initials: ME
authors.lastname: Monroe
authors.forename: Kenneth J
authors.initials: KJ
authors.lastname: Auberry
authors.forename: Joshua N
authors.initials: JN
authors.lastname: Adkins
authors.forename: Richard D
authors.initials: RD
authors.lastname: Smith
mesh_terms: D000465:Algorithms; D001185:Artificial Intelligence; D010363:Pattern Recognition, Automated / Q000379:methods*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D012984:Software; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*