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Oxford University Press (OUP), Bioinformatics, 13(30), p. 1937-1939

DOI: 10.1093/bioinformatics/btu136

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

Journal article published in 2014 by Francesc Fernández-Albert, Rafael Llorach, Cristina Andrés-Lacueva, Alexandre Perera ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Summary: 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.