Document Type
Article
Publication Date
7-5-2024
Original Citation
Pang Z,
Lu Y,
Zhou G,
Hui F,
Xu L,
Viau C,
Spigelman A,
MacDonald P,
Wishart D,
Li S,
Xia J.
MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation. Nucleic Acids Res. 2024;52(W1):W398-W406.
Keywords
JGM, Metabolomics, Software, Chromatography, Liquid, Algorithms, Tandem Mass Spectrometry, Humans, Databases, Factual
JAX Source
Nucleic Acids Res. 2024;52(W1):W398-W406.
ISSN
1362-4962
PMID
38587201
DOI
https://doi.org/10.1093/nar/gkae253
Grant
his research was funded by Genome Canada, Canadian Foundation for Innovation (CFI), US National Institutes of Health (U01 CA235493), Canadian Institutes of Health Research (CIHR), Juvenile Diabetes Research Foundation (JDRF), Natural Sciences and Engineering Research Council of Canada (NSERC), and Diabetes Canada. Funding for open access charge: NSERC
Abstract
We introduce MetaboAnalyst version 6.0 as a unified platform for processing, analyzing, and interpreting data from targeted as well as untargeted metabolomics studies using liquid chromatography - mass spectrometry (LC-MS). The two main objectives in developing version 6.0 are to support tandem MS (MS2) data processing and annotation, as well as to support the analysis of data from exposomics studies and related experiments. Key features of MetaboAnalyst 6.0 include: (i) a significantly enhanced Spectra Processing module with support for MS2 data and the asari algorithm; (ii) a MS2 Peak Annotation module based on comprehensive MS2 reference databases with fragment-level annotation; (iii) a new Statistical Analysis module dedicated for handling complex study design with multiple factors or phenotypic descriptors; (iv) a Causal Analysis module for estimating metabolite - phenotype causal relations based on two-sample Mendelian randomization, and (v) a Dose-Response Analysis module for benchmark dose calculations. In addition, we have also improved MetaboAnalyst's visualization functions, updated its compound database and metabolite sets, and significantly expanded its pathway analysis support to around 130 species. MetaboAnalyst 6.0 is freely available at https://www.metaboanalyst.ca.
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.