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

by Schmid, Robin , Oles, Renee , Knight, Rob , Dubery, Ian A. , Peintner, Ursula , Bandeira, Nuno , Licona-Cassani, Cuauhtemoc , Meehan, Michael J. , Petras, Daniel , Gadhavi, Henna , Pontrelli, Sammy , Quiros-Guerrero, Luis-Manuel , Schoeny, Harald , Chaverri, Priscila , Terrazas, Marvic Carrillo , Dorrestein, Pieter C. , Vera Ponce de León, Arturo , Rath, Christopher M. , La Barbera, Giorgia , Zhao, Jiaqi , Pullman, Benjamin S. , La Rosa, Sabina Leanti , Cui, Jerry J. , Silva, Fernanda Motta Ribeiro , Liebeke, Manuel , Madala, Ntakadzeni Edwin , Siewert, Bianka , Ayala, Adriana Vasquez , Forchhammer, Karl , Koolen, Hector H. F. , Pessotti, Rita de Cassia , Silva dos Santos, Mariana , Mohimani, Hosein , Patterson, Andrew D. , Guan, Xue Li , Zemlin, Jasmine , Odoi, Jane , Grundmann, Carlismari , da Silva, Gilvan Ferreira , Hohenwallner, Katharina , Wolfender, Jean-Luc , Clement, Jason A. , Allard, Pierre-Marie , Panzenboeck, Lisa , Pérez-Lorente, Alicia Isabel , Traxler, Matthew F. , Sichert, Andreas , Rodriguez-Orduña, Lorena , Zuffa, Simone , Bauermeister, Anelize , Lopes, Norberto Peporine , Joubert, Juliette , Broders, Kirk , Avalon, Nicole

in 101/58 / 631/114 / 631/326 / 631/92/320 / Bacteria / Biomedical and Life Sciences / Brief Communication / Communication / Databases, Factual / Fungi / Humans / Infectious Diseases / Life Sciences / Mass spectrometry / Mass spectroscopy / Medical Microbiology / Metabolism / Metabolites / Metabolomics / Metabolomics - methods / Metadata / Microbiology / Microorganisms / Parasitology / Scientific imaging / Software / Tandem Mass Spectrometry / Taxonomy / Virology

2024

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2024

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2024

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Journal Article

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

Schmid, Robin,

Oles, Renee,

Knight, Rob,

Dubery, Ian A.,

Peintner, Ursula,

Bandeira, Nuno,

Licona-Cassani, Cuauhtemoc,

Meehan, Michael J.,

Petras, Daniel,

Gadhavi, Henna,

Pontrelli, Sammy,

Quiros-Guerrero, Luis-Manuel,

Schoeny, Harald,

Chaverri, Priscila,

Terrazas, Marvic Carrillo,

Dorrestein, Pieter C.,

Vera Ponce de León, Arturo,

Rath, Christopher M.,

La Barbera, Giorgia,

Zhao, Jiaqi,

Pullman, Benjamin S.,

La Rosa, Sabina Leanti,

Cui, Jerry J.,

Silva, Fernanda Motta Ribeiro,

Liebeke, Manuel,

Madala, Ntakadzeni Edwin,

Siewert, Bianka,

Ayala, Adriana Vasquez,

Forchhammer, Karl,

Koolen, Hector H. F.,

Pessotti, Rita de Cassia,

Silva dos Santos, Mariana,

Mohimani, Hosein,

Patterson, Andrew D.,

Guan, Xue Li,

Zemlin, Jasmine,

Odoi, Jane,

Grundmann, Carlismari,

da Silva, Gilvan Ferreira,

Hohenwallner, Katharina,

Wolfender, Jean-Luc,

Clement, Jason A.,

Allard, Pierre-Marie,

Panzenboeck, Lisa,

Pérez-Lorente, Alicia Isabel,

Traxler, Matthew F.,

Sichert, Andreas,

Rodriguez-Orduña, Lorena,

Zuffa, Simone,

Bauermeister, Anelize,

Lopes, Norberto Peporine,

Joubert, Juliette,

Broders, Kirk,

Avalon, Nicole

2024

Overview

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. microbeMASST is a tool to associate known and unknown metabolites to microbial producers leveraging untargeted metabolomics data.

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Publisher

Nature Publishing Group UK,Nature Publishing Group

Subject

101/58

/ 631/114

/ 631/326

/ 631/92/320

/ Bacteria

/ Biomedical and Life Sciences

/ Brief Communication