Description Usage Arguments Value Author(s) Examples
View source: R/MetFragInterpreteR.R
This extracts the Explained MS/MS peak formulas from MetFrag results files
1 | ExplFormulas2AnnoMZ(FormulasOfExplPeaks)
|
FormulasOfExplPeaks |
A single |
Returns a data frame with mz and formula fields (latter labeled anno
).
Emma Schymanski <emma.schymanski@uni.lu>
1 2 | FormulasOfExplPeaks <- "62.9638:[HO2P]-H-;78.959:[HO3P]-H-;153.0325:[C4H10O4P]-"
ExplFormulas2AnnoMZ(FormulasOfExplPeaks)
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