README.md
In michaelwitting/masstrixR: Annotation of MS based metabolomics data
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
michaelwitting/masstrixR documentation built on Nov. 8, 2019, 8:12 p.m.
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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
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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