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biochemistry, genetics and molecular biology

Enhancing untargeted metabolomics using metadata-based source annotation

Nature Biotechnology, Volume 40, No. 12, Year 2022

Human untargeted metabolomics studies annotate only ~10% of molecular features. We introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry (MS/MS) data against metadata-annotated source data as a pseudo-MS/MS reference library. Applying this approach to food source data, we show that it increases MS/MS spectral usage 5.1-fold over conventional structural MS/MS library matches and allows empirical assessment of dietary patterns from untargeted data. © 2022, The Author(s), under exclusive licence to Springer Nature America, Inc.

Gauglitz, Julia M.
1. United States, La Jolla University of California, San Diego
Bittremieux, Wout
1. United States, La Jolla University of California, San Diego
Weldon, Kelly C.
1. United States, La Jolla University of California, San Diego
Panitchpakdi, Morgan W.
1. United States, La Jolla University of California, San Diego
Di Ottavio, Francesca
1. United States, La Jolla University of California, San Diego
Aceves, Christine M.
1. United States, La Jolla University of California, San Diego
Brown, Elizabeth A.
1. United States, La Jolla University of California, San Diego
Sikora, Nicole C.
1. United States, La Jolla University of California, San Diego
Jarmusch, Alan K.
1. United States, La Jolla University of California, San Diego
Martino, Cameron
1. United States, La Jolla University of California, San Diego
Tripathi, Anupriya
1. United States, La Jolla University of California, San Diego
Shaffer, Justin P.
1. United States, La Jolla University of California, San Diego
Vargas, Fernando
1. United States, La Jolla University of California, San Diego
Schwartz, Tara
1. United States, La Jolla University of California, San Diego
Bryant, MacKenzie Kenzie M.
1. United States, La Jolla University of California, San Diego
Humphrey, Greg C.
1. United States, La Jolla University of California, San Diego
Spengler, Katharina
1. United States, La Jolla University of California, San Diego
McDonald, Daniel T.
1. United States, La Jolla University of California, San Diego
Zhu, Qiyun
1. United States, La Jolla University of California, San Diego
Elijah, Emmanuel O.
1. United States, La Jolla University of California, San Diego
Wang, Mingxun
1. United States, La Jolla University of California, San Diego
Marotz, Clarisse A.
1. United States, La Jolla University of California, San Diego
Ackermann, Gail L.
1. United States, La Jolla University of California, San Diego
Bradford, Barry J.
1. United States, East Lansing Michigan State University
Marques, Lucas Miranda
1. Brazil, Sao Paulo Universidade de São Paulo
Cunha, Thiago Mattar
1. Brazil, Sao Paulo Universidade de São Paulo
Oliveira, Renê Donizeti Ribeiro
1. Brazil, Sao Paulo Universidade de São Paulo
Louzada-Jünior, Paulo
1. Brazil, Sao Paulo Universidade de São Paulo
Jones, Christina M.
1. United States, Gaithersburg National Institute of Standards and Technology
Lippa, Katrice A.
1. United States, Gaithersburg National Institute of Standards and Technology
Dulai, Parambir Singh
1. United States, La Jolla University of California, San Diego
Dominguez-Bello, Maria Gloria
1. United States, New Brunswick Rutgers University–new Brunswick
Manary, Mark J.
1. United States, St. Louis Washington University in St. Louis
Oliveira, Michelli F.
1. United States, La Jolla University of California, San Diego
Boland, Brigid Sweeney
1. United States, La Jolla University of California, San Diego
Lopes, Norberto Peporine
1. Brazil, Sao Paulo Universidade de São Paulo
Guma, Monica
1. United States, La Jolla University of California, San Diego
Swafford, Austin D.E.
1. United States, La Jolla University of California, San Diego
Knight, Rob D.
1. United States, La Jolla University of California, San Diego
Dorrestein, Pieter C.
1. United States, La Jolla University of California, San Diego

AFRICAN RESEARCH NEXUS

Enhancing untargeted metabolomics using metadata-based source annotation

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African Research Nexus

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AFRICAN RESEARCH NEXUS

Enhancing untargeted metabolomics using metadata-based source annotation

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African Research Nexus

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