MetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics

The wide applications of liquid chromatography - mass spectrometry (LC-MS) in untargeted metabolomics demand an easy-to-use, comprehensive computational workflow to support efficient and reproducible data analysis. However, current tools were primarily developed to perform specific tasks in LC-MS based metabolomics data analysis. Here we introduce MetaboAnalystR 4.0 as a streamlined pipeline covering raw spectra processing, compound identification, statistical analysis, and functional interpretation. The key features of MetaboAnalystR 4.0 includes an auto-optimized feature detection and quantification algorithm for LC-MS1 spectra processing, efficient MS2 spectra deconvolution and compound identification for…

• GC
  Genome Canada
• CR
  Canada Research Chairs
• NI
  National Institutes of Health

  Award: U01 CA235493
• NS
  Natural Sciences and Engineering Research Council of Canada
• OO
  Office of International Science and Engineering