Annotation of masses from non-targeted metabolomics experiments represents a first step towards metabolite identification. MassTRIX  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].
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.
The Vignettes contain examples of high to use masstrixR (https://github.com/michaelwitting/masstrixR/tree/master/vignettes)
 Suhre & Schmitt-Kopplin  Wägele et al  Witting & Schmitt-Kopplin
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