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

Author:

Zuffa SimoneORCID,Schmid RobinORCID,Bauermeister Anelize,P. Gomes Paulo WenderORCID,Caraballo-Rodriguez Andres M.,El Abiead Yasin,Aron Allegra T.,Gentry Emily C.ORCID,Zemlin Jasmine,Meehan Michael J.,Avalon Nicole E.ORCID,Cichewicz Robert H.,Buzun Ekaterina,Terrazas Marvic Carrillo,Hsu Chia-YunORCID,Oles Renee,Ayala Adriana Vasquez,Zhao Jiaqi,Chu HiutungORCID,Kuijpers Mirte C. M.ORCID,Jackrel Sara L.,Tugizimana Fidele,Nephali Lerato Pertunia,Dubery Ian A.ORCID,Madala Ntakadzeni Edwin,Moreira Eduarda Antunes,Costa-Lotufo Leticia Veras,Lopes Norberto PeporineORCID,Rezende-Teixeira Paula,Jimenez Paula C.,Rimal Bipin,Patterson Andrew D.ORCID,Traxler Matthew F.ORCID,Pessotti Rita de CassiaORCID,Alvarado-Villalobos Daniel,Tamayo-Castillo GiselleORCID,Chaverri Priscila,Escudero-Leyva EfrainORCID,Quiros-Guerrero Luis-ManuelORCID,Bory Alexandre Jean,Joubert Juliette,Rutz Adriano,Wolfender Jean-LucORCID,Allard Pierre-MarieORCID,Sichert AndreasORCID,Pontrelli SammyORCID,Pullman Benjamin S.,Bandeira Nuno,Gerwick William H.,Gindro Katia,Massana-Codina JosepORCID,Wagner Berenike C.ORCID,Forchhammer KarlORCID,Petras DanielORCID,Aiosa Nicole,Garg Neha,Liebeke ManuelORCID,Bourceau Patric,Kang Kyo BinORCID,Gadhavi HennaORCID,de Carvalho Luiz Pedro Sorio,Silva dos Santos MarianaORCID,Pérez-Lorente Alicia Isabel,Molina-Santiago CarlosORCID,Romero DiegoORCID,Franke RaimoORCID,Brönstrup MarkORCID,Vera Ponce de León Arturo,Pope Phillip ByronORCID,La Rosa Sabina LeantiORCID,La Barbera GiorgiaORCID,Roager Henrik M.ORCID,Laursen Martin FrederikORCID,Hammerle Fabian,Siewert Bianka,Peintner Ursula,Licona-Cassani Cuauhtemoc,Rodriguez-Orduña LorenaORCID,Rampler Evelyn,Hildebrand FelinaORCID,Koellensperger Gunda,Schoeny HaraldORCID,Hohenwallner KatharinaORCID,Panzenboeck LisaORCID,Gregor Rachel,O’Neill Ellis CharlesORCID,Roxborough Eve Tallulah,Odoi Jane,Bale Nicole J.,Ding SuORCID,Sinninghe Damsté Jaap S.,Guan Xue LiORCID,Cui Jerry J.ORCID,Ju Kou-SanORCID,Silva Denise Brentan,Silva Fernanda Motta Ribeiro,da Silva Gilvan Ferreira,Koolen Hector H. F.,Grundmann Carlismari,Clement Jason A.,Mohimani HoseinORCID,Broders Kirk,McPhail Kerry L.ORCID,Ober-Singleton Sidnee E.,Rath Christopher M.,McDonald Daniel,Knight Rob,Wang Mingxun,Dorrestein Pieter C.ORCID

Abstract

AbstractmicrobeMASST, 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.

Funder

U.S. Department of Health & Human Services | NIH | National Institute of Diabetes and Digestive and Kidney Diseases

U.S. Department of Health & Human Services | NIH | National Institute on Aging

Publisher

Springer Science and Business Media LLC

Subject

Cell Biology,Microbiology (medical),Genetics,Applied Microbiology and Biotechnology,Immunology,Microbiology

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