DeconMSn: a software tool for accurate parent ion monoisotopic mass determination for tandem mass spectra.
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/.
Mayampurath
Anoop M
AM
Pacific Northwest National Laboratory, Richland, WA 99354, USA.
Jaitly
Navdeep
N
Purvine
Samuel O
SO
Monroe
Matthew E
ME
Auberry
Kenneth J
KJ
Adkins
Joshua N
JN
Smith
Richard D
RD
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*