Interpreting High Resolution Mass Spectra [R package InterpretMSSpectrum version 1.5.2]

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: 1.5.2

Depends: R (≥ 2.10.0)

Imports: enviPat, plyr

Suggests: DBI, doParallel, foreach, parallel, Rdisop, RSQLite, testthat (≥ 3.0.0), vdiffr

Published: 2025年12月03日

DOI: 10.32614/CRAN.package.InterpretMSSpectrum

Author: Jan Lisec ORCID iD [aut, cre], Jaeger Carsten [aut]

Maintainer: Jan Lisec <jan.lisec at bam.de>

License: GPL-3

URL: https://github.com/janlisec/InterpretMSSpectrum

NeedsCompilation: no

Language: en-US