https://github.com/aspirincode/masstrixr
masstrixR - Annotation tools for MS-based metabolomics
https://github.com/aspirincode/masstrixr
Last synced: 5 months ago
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masstrixR - Annotation tools for MS-based metabolomics
- Host: GitHub
- URL: https://github.com/aspirincode/masstrixr
- Owner: AspirinCode
- Created: 2019-03-09T09:14:01.000Z (about 7 years ago)
- Default Branch: master
- Last Pushed: 2019-03-07T13:20:28.000Z (about 7 years ago)
- Last Synced: 2025-06-26T12:52:40.349Z (9 months ago)
- Language: R
- Homepage:
- Size: 67 MB
- Stars: 1
- Watchers: 1
- Forks: 2
- Open Issues: 0
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Metadata Files:
- Readme: README.md
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README
# masstrixR
Annotation of masses from non-targeted metabolomics experiments represents a first step towards metabolite identification. MassTRIX [1] was one of the first tools for the annotation of m/z values from ultrahigh resolution mass spectrometry. Different iterations of this tools have been published [1-3].
# Metabolite annotation in R
The newest version of MassTRIX enables annotatoin of m/z within R. Addtionally to matching of theoretical and measured m/z, searches in RT and CCS database are enabled.
# Examples
The Vignettes contain examples of high to use masstrixR (https://github.com/michaelwitting/masstrixR/tree/master/vignettes)
# Literature
[1] Suhre & Schmitt-Kopplin
[2] Wägele et al
[3] Witting & Schmitt-Kopplin