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

作者：Fernandez Albert Francesc^*; Llorach Rafael; Andres Lacueva Cristina; Perera Alexandre

来源：Bioinformatics, 2014, 30(13): 1937-1938.

DOI：10.1093/bioinformatics/btu136

Current tools for Liquid Chromatography and Mass Spectrometry (LC/MS) for metabolomic data cover a limited number of processing steps, whereas online tools are hard to use in a programmable fashion. This paper introduces the Metabolite Automatic Identification Toolkit (MAIT) package, which makes it possible for users to perform metabolomic end-to-end LC/MS 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: http://b2slab. upc. edu/software-and-downloads/ metabolite-automatic-identification-toolkit/

• 出版日期2014-7-1