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MetaboList (version 2.0)

Annotation of Metabolites from Liquid Chromatography-Mass Spectrometry Data

Description

Automatic metabolite annotation from Liquid Chromatography-Mass Spectrometry (LC-MS and LC-MS/MS DIA) analysis.

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Version

Install

install.packages('MetaboList')

Monthly Downloads

46

Version

2.0

License

GPL-2

Maintainer

Manuel Peris Diaz

Last Published

August 22nd, 2019

Functions in MetaboList (2.0)

plot_EIC

Plot an Extracted Ion Chromatogram (EIC)
CE.isolation

Separation of MS/MS files with regards collision energy
Filter_AIF

Automatic Metabolite Annotation from LC-MS DIA experiments.
AIF

Automatic Metabolite Annotation from LC-MS DIA experiments.
Isotopic

Preparation library Full-MS.
PeakGroupMS1

Peak Grouping for MS1 file
PeakGroup

Peak Grouping for multiple DIA files
FullMS

Processing and Annotation of LC-MS Full-Scan data
ScoresDIA

Statistical analysis for a pair of peak grouped metabolites from LC-MS/MS DIA analysis.
ScoresMS1

Statistical Analysis for a pair of peaks annotated for a particular metabolite.
elemental.formula

List from elemental formula