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 C. M.; 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; Kang, Kyo Bin; 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; Barbera, Giorgia La; 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; Sinninghe Damsté, Jaap S.; Guan, Xueli Li; Cui, Jerry J.; Ju, Kou-San; Silva, Denise Brentan; Ribeiro Silva, Fernanda Motta; da Silva, Gilvan Ferreira; Koolen, Hector H. F.; 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.

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 C. M.; 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, Nun...

Authors

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

Dr ELLIS O'NEILL Ellis.O'Neill@nottingham.ac.uk
ASSISTANT PROFESSOR

Eve Tallulah Roxborough

Jane Odoi

Nicole J. Bale

Su Ding

Jaap S. Sinninghe Damsté

Xueli 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

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 microbial-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. M., Abiead, Y. E., Aron, A. T., Gentry, E. C., Zemlin, J., Meehan, M. J., Avalon, N. E., Cichewicz, R. H., Buzun, E., Terrazas, M. C., Hsu, C.-Y., Oles, R., Ayala, A. V., Zhao, J., Chu, H., Kuijpers, M. C. M., …Dorrestein, P. C. A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data

Working Paper Type	Working Paper
Deposit Date	Jul 25, 2023
Publicly Available Date	Jul 27, 2023
Public URL	https://nottingham-repository.worktribe.com/output/23475124
Publisher URL	https://www.biorxiv.org/content/10.1101/2023.07.20.549584v1.abstract
Additional Information	Preprint