articleNucleic Acids ResearchApr 8, 2024GOLD OA

MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation

McGill University · University of Alberta · +2 more institutions

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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…

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Authors

11

Topics & keywords

Keywords
  • Annotation
  • Computer science
  • Benchmark (surveying)
  • Visualization
  • Data processing
  • Data mining
  • Computational biology
  • Biology
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