InterpretMSSpectrum: Interpreting High Resolution GC-APCI-MS Spectra

A deconvoluted mass spectrum (mass*intensity pairs) from Tri-Methyl-Silyl-derivatized GC-APCI-MS (Gas Chromatography-Atmospheric Pressure Chemical Ionization-Mass Spectrometry) data can be read, evaluated and plotted in an informative fashion. The main purpose is to identify the causal metabolite or more precisely the sum formula of the molecular peak within the spectrum.

Version: 0.83
Depends: R (≥ 2.10.0)
Imports: Rdisop, enviPat, plyr
Published: 2016-09-06
Author: Jan Lisec [aut, cre]
Maintainer: Jan Lisec <jan.lisec at charite.de>
License: GPL-3
URL: http://dx.doi.org/10.1021/acs.analchem.6b02743
NeedsCompilation: no
CRAN checks: InterpretMSSpectrum results

Downloads:

Reference manual: InterpretMSSpectrum.pdf
Package source: InterpretMSSpectrum_0.83.tar.gz
Windows binaries: r-devel: InterpretMSSpectrum_0.83.zip, r-release: InterpretMSSpectrum_0.83.zip, r-oldrel: InterpretMSSpectrum_0.83.zip
OS X Mavericks binaries: r-release: InterpretMSSpectrum_0.83.tgz, r-oldrel: not available

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