search_by_precursor: Function to find MS2 spectra in a MS2 library for spectral...

In michaelwitting/masstrixR: Annotation of MS based metabolomics data

Description

Function to find MS2 spectra in a MS2 library for spectral matching. The search parameters are a given precursor m/z and potentially its type of adduct.

Usage

search_by_precursor(ms2dbFileName, mode = "onDisk", precursorMz,
  mzTol = 0.005, mzTolType = "abs", precursorRt, rt = FALSE,
  rtTol = 0.5, rtTolType = "abs", precursorCcs, ccs = FALSE,
  ccsTol = 1, ccsTolType = "rel", precursorType = NA)

Arguments

ms2dbFileName	File name or path to MS2 database
precursorMz	Mass of precursor for search
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
precursorType	String indicating the potential precursor adducts

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