InterpretMSSpectrum: Interpreting High Resolution Mass Spectra

High resolution mass spectrometry yields often large data sets of spectra from compounds which are not present in available libraries. These spectra need to be annotated and interpreted. 'InterpretMSSpectrum' provides a set of functions to perform such tasks for Electrospray-Ionization and Atmospheric-Pressure-Chemical-Ionization derived data in positive and negative ionization mode.

Version: 1.4.5
Depends: R (≥ 2.10.0)
Imports: enviPat, plyr
Suggests: DBI, doParallel, foreach, parallel, Rdisop, RSQLite, testthat (≥ 3.0.0), vdiffr
Published: 2024-01-31
DOI: 10.32614/CRAN.package.InterpretMSSpectrum
Author: Jan Lisec ORCID iD [aut, cre], Jaeger Carsten [aut]
Maintainer: Jan Lisec <jan.lisec at>
License: GPL-3
NeedsCompilation: no
Language: en-US
Citation: InterpretMSSpectrum citation info
Materials: README
CRAN checks: InterpretMSSpectrum results


Reference manual: InterpretMSSpectrum.pdf


Package source: InterpretMSSpectrum_1.4.5.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
macOS binaries: r-release (arm64): InterpretMSSpectrum_1.4.5.tgz, r-oldrel (arm64): InterpretMSSpectrum_1.4.5.tgz, r-release (x86_64): InterpretMSSpectrum_1.4.5.tgz, r-oldrel (x86_64): InterpretMSSpectrum_1.4.5.tgz
Old sources: InterpretMSSpectrum archive

Reverse dependencies:

Reverse imports: HiResTEC, MetabolomicsBasics
Reverse suggests: RAMClustR


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