DeconMSn: A Software Tool for accurate parent ion monoisotopic mass determination for tandem mass spectra

Journal Article · Tue Apr 01 00:00:00 EDT 2008 · Bioinformatics, 24(7):1021-1023

DOI:https://doi.org/10.1093/bioinformatics/btn063· OSTI ID:927489

Mayampurath, Anoop M.; Jaitly, Navdeep; Purvine, Samuel O.; Monroe, Matthew E.; Auberry, Kenneth J.; Adkins, Joshua N.; Smith, Richard D.

We present a new software tool for tandem MS analyses that: • accurately calculates the monoisotopic mass and charge of high–resolution parent ions • accurately operates regardless of the mass selected for fragmentation • performs independent of instrument settings • enables optimal selection of search mass tolerance for high mass accuracy experiments • is open source and thus can be tailored to individual needs • incorporates a SVM-based charge detection algorithm for analyzing low resolution tandem MS spectra • creates multiple output data formats (.dta, .MGF) • handles .RAW files and .mzXML formats • compatible with SEQUEST, MASCOT, X!Tandem

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 927489
• Report Number(s): PNNL-SA-56275; KP1704020
• Journal Information: Bioinformatics, 24(7):1021-1023, Vol. 24, Issue 7
• Country of Publication: United States
• Language: English