An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)

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Title:	An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit)
Author:	Fernández Albert, Francesc; Llorach, Rafael; Andrés Lacueva, Ma. Cristina; Perera Lluna, Alexandre
Other authors:	Universitat de Barcelona
Abstract:	Current tools for liquid chromatography and mass spectrometry for metabolomic data cover a limited number of processing steps, whereas online tools are hard to use in a programmable fashion. This article introduces the Metabolite Automatic Identification Toolkit (MAIT) package, which makes it possible for users to perform metabolomic end-to-end liquid chromatography and mass spectrometry data analysis. MAIT is focused on improving the peak annotation stage and provides essential tools to validate statistical analysis results. MAIT generates output files with the statistical results, peak annotation and metabolite identification. AVAILABILITY AND IMPLEMENTATION: http://b2slab.upc.edu/software-and-downloads/metabolite-automatic-identification-toolkit/.
Subject(s):	-Cromatografia de líquids d'alta resolució -Espectrometria de masses -Metabòlits -High performance liquid chromatography -Mass spectrometry -Metabolites
Rights:	cc-by-nc (c) , 2014 http://creativecommons.org/licenses/by-nc/3.0/es
Document type:	Article Article - Published version
Published by:	Oxford University Press
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