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

被引：55

作者：

Fernandez-Albert, Francesc ^{[1
,2
]}

Llorach, Rafael ^{[2
,3
]}

Andres-Lacueva, Cristina ^{[2
,3
]}

Perera, Alexandre ^{[1
]}

机构：

[1] Univ Politecn Cataluna, CIBER BBN, Dept Engn Sistemes Automat & Informat Ind, B2SLAB, Barcelona, Spain

[2] Univ Barcelona, Sch Pharm, Nutr & Food Sci Dept, Biomarkers & Nutrimetabol Lab,XaRTA INSA, Barcelona, Spain

[3] INGENIO CONSOLIDER Program, FUN C Food CSD2007 063, Barcelona, Spain

来源：

BIOINFORMATICS | 2014年 / 30卷 / 13期

关键词：

MASS-SPECTROMETRY DATA; MZMINE;

D O I：

10.1093/bioinformatics/btu136

中图分类号：

Q5 [生物化学];

学科分类号：

070307 [化学生物学];

摘要：

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/

引用

页码：1937 / 1938

页数：2

共 14 条

[1]

AStream: an R package for annotating LC/MS metabolomic data [J].