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

Zuffa, Simone; Schmid, Robin; Bauermeister, Anelize; Gomes, Paulo Wender Portal; Caraballo-Rodriguez, Andres; Abiead, Yasin El; Aron, Allegra; Gentry, Emily C.; Zemlin, Jasmine; Meehan, Michael; Avalon, Nicole E.; Cichewicz, Robert; Buzun, Ekaterina; Carrillo-Terrazas, Marvic; Hsu, Chia-Yun; Oles, Renee; Ayala, Adriana Vasquez; Zhao, Jiaqi; Chu, Hiutung; Kuijpers, Mirte C.M.; Jackrel, Sara L.; Tugizimana, Fidele; Nephali, Lerato Pertunia; Dubery, Ian A.; Madala, Ntakadzeni; Moreira, Eduarda; Costa-Lotufo, Leticia; Lopes, Norberto Peporine; Rezende-Teixeira, Paula; Jimenez, Paula C.; Rimal, Bipin; Patterson, Andrew D.; Traxler, Matthew F.; Pessotti, Rita de Cassia; Alvarado-Villalobos, Daniel; Tamayo-Castillo, Giselle; Chaverri, Priscila; Escudero-Leyva, Efrain; Quiros-Guerrero, Luis-Manuel; Bory, Alexandre; Joubert, Juliette; Rutz, Adriano; Wolfender, Jean-Luc; Allard, Pierre-Marie; Sichert, Andreas; Pontrelli, Sammy; Pullman, Benjamin; Bandeira, Nuno; Gerwick, William; Gindro, Katia; Massana-Codina, Josep; Wagner, Berenike C.; Forchhammer, Karl; Petras, Daniel; Aiosa, Nicole; Garg, Neha; Liebeke, Manuel; Bourceau, Patric; Kang, Kyo Bin; Gadhavi, Henna; de Carvalho, Luiz Pedro; Silva dos Santos, Mariana; Pérez-Lorente, Alicia; Molina-Santiago, Carlos; Romero, Diego; Franke, Raimo; Brönstrup, Mark; De Leon, 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; Ding, Su; Sinninghe Damsté, Jaap S.; Guan, Xue Li; Cui, Jerry J.; Ju, Kou-San; Silva, Denise; Silva, Fernanda; Silva, Gilvan da; Koolen, Hector; Grundmann, Carlismari; Clement, Jason; Mohimani, Hosein; Broders, Kirk; McPhail, Kerry; Ober-Singleton, Sidnee; Rath, Christopher; McDonald, Daniel; Knight, Rob; Wang, Mingxun; Dorrestein, Pieter

doi:10.1038/s41564-023-01575-9

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

Zuffa, Simone; Schmid, Robin; Bauermeister, Anelize; Gomes, Paulo Wender Portal; Caraballo-Rodriguez, Andres; Abiead, Yasin El; Aron, Allegra; Gentry, Emily C.; Zemlin, Jasmine; Meehan, Michael; Avalon, Nicole E.; Cichewicz, Robert; Buzun, Ekaterina; Carrillo-Terrazas, Marvic; Hsu, Chia-Yun; Oles, Renee; Ayala, Adriana Vasquez; Zhao, Jiaqi; Chu, Hiutung; Kuijpers, Mirte C.M.; Jackrel, Sara L.; Tugizimana, Fidele; Nephali, Lerato Pertunia; Dubery, Ian A.; Madala, Ntakadzeni; Moreira, Eduarda; Costa-Lotufo, Leticia; Lopes, Norberto Peporine; Rezende-Teixeira, Paula; Jimenez, Paula C.; Rimal, Bipin; Patterson, Andrew D.; Traxler, Matthew F.; Pessotti, Rita de Cassia; Alvarado-Villalobos, Daniel; Tamayo-Castillo, Giselle; Chaverri, Priscila; Escudero-Leyva, Efrain; Quiros-Guerrero, Luis-Manuel; Bory, Alexandre; Joubert, Juliette; Rutz, Adriano; Wolfender, Jean-Luc; Allard, Pierre-Marie; Sichert, Andreas; Pontrelli, Sammy; Pullman, Benjamin; Bandeira, Nuno; Gerwick, William; Gindro, Katia;...

Authors

Simone Zuffa

Robin Schmid

Anelize Bauermeister

Paulo Wender Portal Gomes

Andres Caraballo-Rodriguez

Yasin El Abiead

Allegra Aron

Emily C. Gentry

Jasmine Zemlin

Michael Meehan

Nicole E. Avalon

Robert 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 Madala

Eduarda Moreira

Leticia 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 Bory

Juliette Joubert

Adriano Rutz

Jean-Luc Wolfender

Pierre-Marie Allard

Andreas Sichert

Sammy Pontrelli

Benjamin Pullman

Nuno Bandeira

William 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 de Carvalho

Mariana Silva dos Santos

Alicia Pérez-Lorente

Carlos Molina-Santiago

Diego Romero

Raimo Franke

Mark Brönstrup

Arturo Vera Ponce De Leon

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 O'NEILL Ellis.O'Neill@nottingham.ac.uk
Assistant Professor

Eve Tallulah Roxborough

Jane Odoi

Nicole Bale

Su Ding

Jaap S. Sinninghe Damsté

Xue Li Guan

Jerry J. Cui

Kou-San Ju

Denise Silva

Fernanda Silva

Gilvan da Silva

Hector Koolen

Carlismari Grundmann

Jason Clement

Hosein Mohimani

Kirk Broders

Kerry McPhail

Sidnee Ober-Singleton

Christopher Rath

Daniel McDonald

Rob Knight

Mingxun Wang

Pieter Dorrestein

Abstract

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.

Citation

Zuffa, S., Schmid, R., Bauermeister, A., Gomes, P. W. P., Caraballo-Rodriguez, A., Abiead, Y. E., …Dorrestein, P. (2024). microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data. Nature Microbiology, 9(2), 336-345. https://doi.org/10.1038/s41564-023-01575-9

Journal Article Type	Article
Acceptance Date	Nov 29, 2023
Online Publication Date	Feb 5, 2024
Publication Date	Feb 5, 2024
Deposit Date	Nov 13, 2023
Publicly Available Date	Feb 6, 2024
Journal	Nature Microbiology
Electronic ISSN	2058-5276
Publisher	Nature Publishing Group
Peer Reviewed	Peer Reviewed
Volume	9
Issue	2
Pages	336-345
DOI	https://doi.org/10.1038/s41564-023-01575-9
Keywords	Computational biology and bioinformatics; Metabolomics; Microbiology
Public URL	https://nottingham-repository.worktribe.com/output/27368241
Publisher URL	https://www.nature.com/articles/s41564-023-01575-9