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

Zuffa, Simone; Schmid, Robin; Bauermeister, Anelize; Gomes, Paulo Wender P; Caraballo-Rodriguez, Andres M; Abiead, Yasin El; Aron, Allegra T; Gentry, Emily C; Zemlin, Jasmine; Meehan, Michael J; Avalon, Nicole E; Cichewicz, Robert H; Buzun, Ekaterina; Terrazas, Marvic Carrillo; Hsu, Chia-Yun; Oles, Renee; Ayala, Adriana Vasquez; Zhao, Jiaqi; Chu, Hiutung; Kuijpers, Mirte CM; Jackrel, Sara L; Tugizimana, Fidele; Nephali, Lerato Pertunia; Dubery, Ian A; Madala, Ntakadzeni Edwin; Moreira, Eduarda Antunes; Costa-Lotufo, Leticia Veras; Lopes, Norberto Peporine; Rezende-Teixeira, Paula; Jimenez, Paula C; Rimal, Bipin; Patterson, Andrew D; Traxler, Matthew F; de Cassia Pessotti, Rita; Alvarado-Villalobos, Daniel; Tamayo-Castillo, Giselle; Chaverri, Priscila; Escudero-Leyva, Efrain; Quiros-Guerrero, Luis-Manuel; Bory, Alexandre Jean; Joubert, Juliette; Rutz, Adriano; Wolfender, Jean-Luc; Allard, Pierre-Marie; Sichert, Andreas; Pontrelli, Sammy; Pullman, Benjamin S; Bandeira, Nuno; Gerwick, William H; Gindro, Katia; Massana-Codina, Josep; Wagner, Berenike C; Forchhammer, Karl; Petras, Daniel; Aiosa, Nicole; Garg, Neha; Liebeke, Manuel; Bourceau, Patric; Bin Kang, Kyo; Gadhavi, Henna; de Carvalho, Luiz Pedro Sorio; Dos Santos, Mariana Silva; Pérez-Lorente, Alicia Isabel; Molina-Santiago, Carlos; Romero, Diego; Franke, Raimo; Brönstrup, Mark; de León, Arturo Vera Ponce; Pope, Phillip Byron; La Rosa, Sabina Leanti; La Barbera, Giorgia; Roager, Henrik M; Laursen, Martin Frederik; Hammerle, Fabian; Siewert, Bianka; Peintner, Ursula; Licona-Cassani, Cuauhtemoc; Rodriguez-Orduña, Lorena; Rampler, Evelyn; Hildebrand, Felina; Koellensperger, Gunda; Schoeny, Harald; Hohenwallner, Katharina; Panzenboeck, Lisa; Gregor, Rachel; O'Neill, Ellis Charles; Roxborough, Eve Tallulah; Odoi, Jane; Bale, Nicole J; Ding, Su; Damsté, Jaap S Sinninghe; Guan, Xue Li; Cui, Jerry J; Ju, Kou-San; Silva, Denise Brentan; Silva, Fernanda Motta Ribeiro; da Silva, Gilvan Ferreira; Koolen, Hector HF; Grundmann, Carlismari; Clement, Jason A; Mohimani, Hosein; Broders, Kirk; McPhail, Kerry L; Ober-Singleton, Sidnee E; Rath, Christopher M; McDonald, Daniel; Knight, Rob; Wang, Mingxun; Dorrestein, Pieter C

doi:10.25418/crick.25204592.v1

s41564-023-01575-9.pdf (3.51 MB)

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

journal contribution

posted on 2024-02-12, 09:41 authored by Simone Zuffa, Robin Schmid, Anelize Bauermeister, Paulo Wender P Gomes, Andres M Caraballo-Rodriguez, Yasin El Abiead, Allegra T Aron, Emily C Gentry, Jasmine Zemlin, Michael J Meehan, Nicole E Avalon, Robert H Cichewicz, Ekaterina Buzun, Marvic Carrillo Terrazas, Chia-Yun Hsu, Renee Oles, Adriana Vasquez Ayala, Jiaqi Zhao, Hiutung Chu, Mirte CM Kuijpers, Sara L Jackrel, Fidele Tugizimana, Lerato Pertunia Nephali, Ian A Dubery, Ntakadzeni Edwin Madala, Eduarda Antunes Moreira, Leticia Veras Costa-Lotufo, Norberto Peporine Lopes, Paula Rezende-Teixeira, Paula C Jimenez, Bipin Rimal, Andrew D Patterson, Matthew F Traxler, Rita de Cassia Pessotti, Daniel Alvarado-Villalobos, Giselle Tamayo-Castillo, Priscila Chaverri, Efrain Escudero-Leyva, Luis-Manuel Quiros-Guerrero, Alexandre Jean Bory, Juliette Joubert, Adriano Rutz, Jean-Luc Wolfender, Pierre-Marie Allard, Andreas Sichert, Sammy Pontrelli, Benjamin S Pullman, Nuno Bandeira, William H Gerwick, Katia Gindro, Josep Massana-Codina, Berenike C Wagner, Karl Forchhammer, Daniel Petras, Nicole Aiosa, Neha Garg, Manuel Liebeke, Patric Bourceau, Kyo Bin Kang, Henna Gadhavi, Luiz Pedro Sorio de Carvalho, Mariana Silva Dos Santos, Alicia Isabel Pérez-Lorente, Carlos Molina-Santiago, Diego Romero, Raimo Franke, Mark Brönstrup, Arturo Vera Ponce de León, Phillip Byron Pope, Sabina Leanti La Rosa, Giorgia La Barbera, Henrik M Roager, Martin Frederik Laursen, Fabian Hammerle, Bianka Siewert, Ursula Peintner, Cuauhtemoc Licona-Cassani, Lorena Rodriguez-Orduña, Evelyn Rampler, Felina Hildebrand, Gunda Koellensperger, Harald Schoeny, Katharina Hohenwallner, Lisa Panzenboeck, Rachel Gregor, Ellis Charles O'Neill, Eve Tallulah Roxborough, Jane Odoi, Nicole J Bale, Su Ding, Jaap S Sinninghe Damsté, Xue Li Guan, Jerry J Cui, Kou-San Ju, Denise Brentan Silva, Fernanda Motta Ribeiro Silva, Gilvan Ferreira da Silva, Hector HF Koolen, Carlismari Grundmann, Jason A Clement, Hosein Mohimani, Kirk Broders, Kerry L McPhail, Sidnee E Ober-Singleton, Christopher M Rath, Daniel McDonald, Rob Knight, Mingxun Wang, Pieter C Dorrestein

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.