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

Research square(2024)

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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.
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关键词
mass spectrometry search tool,metabolomics,mass spectrometry,taxonomically-informed
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