1998/01/01 by Zhiqiang Pang, Guangyan Zhou, Jessica Ewald +7 · 26 citations
Agricultural and Biological Sciences · Biochemistry, Genetics and Molecular Biology · Chemistry · #Advanced Proteomics Techniques and Applications #Bioinformatics and Genomic Networks #Mediterranean and Iberian flora and fauna #Metabolomics and Mass Spectrometry Studies
paper · pdf · doi:10.1038/s41596-022-00710-w
openalex publication_date 1998/01/01 · openalex created_date 2016/06/24 · crossref issued 2022/06/17 · crossref published 2022/06/17 · crossref published-online 2022/06/17 · crossref created 2022/06/17 · crossref published-print 2022/08/01 · crossref deposited 2024/12/11 · openalex updated_date 2026/06/23 · crossref indexed 2026/07/30
Liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) has become a workhorse in global metabolomics studies with growing applications across biomedical and environmental sciences. However, outstanding bioinformatics challenges in terms of data processing, statistical analysis and functional interpretation remain critical barriers to the wider adoption of this technology. To help the user community overcome these barriers, we have made major updates to the well-established MetaboAnalyst platform ( www.metaboanalyst.ca ). This protocol extends the previous 2011 Nature Protocol by providing stepwise instructions on how to use MetaboAnalyst 5.0 to: optimize parameters for LC-HRMS spectra processing; obtain functional insights from peak list data; integrate metabolomics data with transcriptomics data or combine multiple metabolomics datasets; conduct exploratory statistical analysis with complex metadata. Parameter optimization may take ~2 h to complete depending on the server load, and the remaining three stages may be executed in ~60 min.