ExplFormulas2AnnoMZ: Convert FormulasOfExplPeaks MetFrag Entry into MS/MS with mz...

Description Usage Arguments Value Author(s) Examples

View source: R/MetFragInterpreteR.R

Description

This extracts the Explained MS/MS peak formulas from MetFrag results files

Usage

1
ExplFormulas2AnnoMZ(FormulasOfExplPeaks)

Arguments

FormulasOfExplPeaks

A single FormulasOfExplPeaks entry from the MetFrag results file

Value

Returns a data frame with mz and formula fields (latter labeled anno).

Author(s)

Emma Schymanski <emma.schymanski@uni.lu>

Examples

1
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FormulasOfExplPeaks <- "62.9638:[HO2P]-H-;78.959:[HO3P]-H-;153.0325:[C4H10O4P]-"
ExplFormulas2AnnoMZ(FormulasOfExplPeaks)

schymane/ReSOLUTION documentation built on May 22, 2021, 3:41 a.m.