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Technology Description	A tool, DeconMSn, has been developed that determines parent charge state and monoisotopic more accurately than previously developed methods.
Category	Software
PRC	Pacific Northwest National Laboratory
PubMed ID	18304935
Author	Mayampurath AM, Jaitly N, Purvine SO, Monroe ME, Auberry KJ, Adkins JN, Smith RD
Publication Description	The authors report the software tool DeconMSn which uses a modified approach based on a previously reported method.
Methodology	Charge is first calculated using autocorrelation-based peak fitting followed by monoisotopic mass calculation by comparison of theoretical and observed profiles. Corresponding fit scores are determined in this way for each distribution within a window of the parent distribution. The fit score is a Euclidean based measure between corresponding profiles. The closest match to theoretical distribution is returned and a spectrum file is created using the determined charge and protonated monoisotopic mass.
Resource	http://ncrr.pnl.gov/software/DeconMSn.stm