articleNature MicrobiologyFeb 5, 2024HYBRID OA

microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data

SZSimone ZuffaRSRobin SchmidABAnelize BauermeisterPWPaulo Wender Portal GomesAMAndrés Mauricio Caraballo‐Rodríguez

University of California San Diego · University of Montana · +59 more institutions

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Abstract

MicrobeMASST, a taxonomically informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known and unknown MS/MS spectra and link them to their respective microbial producers via MS/MS fragmentation patterns. Identification of microbe-derived metabolites and relative producers without a priori knowledge will vastly enhance the understanding of microorganisms' role in ecology and human health.

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Topics
Keywords
  • Metabolomics
  • Computational biology
  • Mass spectrometry
  • Biology
  • Chemistry
  • Bioinformatics
  • Chromatography
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