contains_neutral_loss: This function allows to search for a fragment m/z in MS2...

In michaelwitting/masstrixR: Annotation of MS based metabolomics data

Description

This function allows to search for a fragment m/z in MS2 spectra that match to a specified neutral from the precusor

Usage

contains_neutral_loss(ms2spectrum, neutralLossMass, mzTol = 0.005,
  mzTolType = "abs")

Arguments

ms2spectrum	A Spectrum2 in which the production ion shall be searched
neutralLossMass	Mass of neutral loss that shal be searched
mzTol	Maximum allowed tolerance in Da or ppm
mzTolType	Defines the error type for m/z search, "abs" is used for absolute mass error, "ppm" for relative error

michaelwitting/masstrixR documentation built on Nov. 8, 2019, 8:12 p.m.