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

  • 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 C. M. 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 H. F. 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

摘要

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.