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: | 1.5.3 |
| Depends: | R (≥ 2.10.0) |
| Imports: | enviPat, plyr, rcdk |
| Suggests: | DBI, doParallel, foreach, parallel, Rdisop, RSQLite, testthat (≥ 3.0.0), vdiffr |
| Published: | 2026-04-10 |
| DOI: | 10.32614/CRAN.package.InterpretMSSpectrum |
| Author: | Jan Lisec  [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 |
| Citation: | InterpretMSSpectrum citation info |
| Materials: | README |
| CRAN checks: | InterpretMSSpectrum results |
Documentation:
| Reference manual: | InterpretMSSpectrum.html , InterpretMSSpectrum.pdf |
Downloads:
| Package source: | InterpretMSSpectrum_1.5.3.tar.gz |
| Windows binaries: | r-devel: InterpretMSSpectrum_1.5.3.zip, r-release: InterpretMSSpectrum_1.5.3.zip, r-oldrel: InterpretMSSpectrum_1.5.3.zip |
| macOS binaries: | r-release (arm64): InterpretMSSpectrum_1.5.3.tgz, r-oldrel (arm64): InterpretMSSpectrum_1.5.3.tgz, r-release (x86_64): InterpretMSSpectrum_1.5.3.tgz, r-oldrel (x86_64): InterpretMSSpectrum_1.5.3.tgz |
| Old sources: | InterpretMSSpectrum archive |
Reverse dependencies:
| Reverse imports: | fioRa, MetabolomicsBasics |
| Reverse suggests: | HiResTEC |
Linking:
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