A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data

S. Zuffa; R. Schmid; A. Bauermeister; P. W. P. Gomes; A. M. Caraballo-Rodriguez; Y. El Abiead; A. T. Aron; E. C. Gentry; J. Zemlin; M. J. Meehan; N. E. Avalon; R. H. Cichewicz; E. Buzun; M. Carrillo Terrazas; C.-Y. Hsu; R. Oles; A. Vasquez Ayala; J. Zhao; H. Chu; M. C. M. Kuijpers; S. L. Jackrel; F. Tugizimana; L. P. Nephali; I. A. Dubery; N. E. Madala; E. A. Moreira; L. V. Costa-Lotufo; N. P. Lopes; P. Rezende-Teixeira; P. C. Jimenez

doi:10.1101/2023.07.20.549584

MicrobiologybioRxivJul 20, 2023

Preprint

A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data

S. Zuffa, R. Schmid, A. Bauermeister, P. W. P. Gomes, A. M. Caraballo-Rodriguez, Y. El Abiead, A. T. Aron, E. C. Gentry, J. Zemlin, M. J. Meehan, N. E. Avalon, R. H. Cichewicz, E. Buzun, M. Carrillo Terrazas, C.-Y. Hsu, R. Oles, A. Vasquez Ayala, J. Zhao, H. Chu, M. C. M. Kuijpers, S. L. Jackrel, F. Tugizimana, L. P. Nephali, I. A. Dubery, N. E. Madala, , Escud

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 microbial-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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