decoMS2

Version: 0.1

Website

http://pattilab.wustl.edu/software/decoms2/decoms2.php

Description

This deconvolutes MS2 data using a novel two step process. Firstly MS2 peaks are collected with less stringent isolation settings. Spectra are then deconvoluted by evaluating MS2 fragment intensities as a function of retention time and precursor mass using the shifting window deconvolution approach.

Functionality

• Preprocessing

Instrument Data Type

• MS/LC-MS

Approaches

• Untargeted

Computer Skills

Advanced

Software Type

R Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

R

Dependencies

nnls, RColorBrewer, xcms, mzR, Rcpp, BioGenerics, Biobase, gplots

Input Formats - Open

mzData, mzML, mzXML, netCDF

Input Formats - Proprietary

N/A

Published

2013

Last Updated

2013

License

GPL-2

Paper

http://www.ncbi.nlm.nih.gov/pubmed/23829391

PMID

23829391