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Published version

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2014-03-17

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cc-by-nc (c) , 2014
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/107941

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

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https://doi.org/10.1093/bioinformatics/btu136

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

Cromatografia de líquids d'alta resolució, Espectrometria de masses, Metabòlits

Subject (English)

High performance liquid chromatography, Mass spectrometry, Metabolites

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Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)

Citation

FERNÁNDEZ ALBERT, Francesc, et al. An R package to analyse LC/MS metabolomic data: MAIT (Metabolite Automatic Identification Toolkit). Bioinformatics. 2014. Vol. 30, num. 13, pags. 1937-1938. ISSN 1367-4803. [consulted: 15 of August of 2026]. Available at: https://hdl.handle.net/2445/107941

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