MetaboList (version 2.0)

CE.isolation: Separation of MS/MS files with regards collision energy

Description

Isolation of MS/MS events acquired at different collision energies into single files at particular collision energy

Usage

CE.isolation(file, output)

Arguments

file

A mzXML file from the LC-MS/MS experiment in positive or negative ionization mode.

output

Multiple mzXML files separated by collision energies.

References

1. R-MetaboList: a flexible tool for metabolite extraction from high-resolution data-independent acquisition mass spectrometry analysis. Metabolites. Soon

2. A Survey of Orbitrap All Ion Fragmentation Analysis Assessed by an R MetaboList Package to Study Small-Molecule Metabolites. Chromatographia. 2018, 81, 981-994.

Examples

# NOT RUN {
library(MetaboList)
#Reading the file.mzXML
#CE.isolation("AIFpos1000-AIF.mzXML","fileposB")


# }