Molecular networking has become a key method to visualize and annotate the chemical space in non-targeted mass spectrometry data. We present feature-based molecular networking (FBMN) as an analysis method in the Global Natural Products Social Molecular Networking (GNPS) infrastructure that builds on chromatographic feature detection and alignment tools. FBMN enables quantitative analysis and resolution of isomers, including from ion mobility spectrometry.

Applied Bioinformatics Department of Computer Science University of Tübingen Tübingen Germany

Bioinformatics and Scientific Data Leibniz Institute of Plant Biochemistry Halle Germany

Bioinformatics Group Wageningen University Wageningen the Netherlands

Biomolecular Interactions Max Planck Institute for Developmental Biology Tübingen Germany

Bruker Daltonics Bremen Germany

Center for Algorithmic Biotechnology Institute of Translational Biomedicine St Petersburg State University St Petersburg Russia

Center for Microbiome Innovation University of California San Diego La Jolla CA USA

Centro de Biodiversidad y Descubrimiento de Drogas Instituto de Investigaciones Científicas y Servicios de Alta Tecnología Panama Republic of Panama

Chair for Bioinformatics Friedrich Schiller University Jena Germany

Collaborative Mass Spectrometry Innovation Center University of California San Diego La Jolla CA USA

College of Pharmacy Kangwon National University Chuncheon si Republic of Korea

College of Pharmacy Sookmyung Women's University Seoul Republic of Korea

Computational Biology Department School of Computer Sciences Carnegie Mellon University Pittsburgh PA USA

Department of Biochemistry and Molecular Biology Michigan State University East Lansing MI USA

Department of Biological and Environmental Sciences University of West Alabama Livingston AL USA

Department of Chemistry and Biochemistry Department of Microbiology and Plant Biology and Laboratories of Molecular Anthropology and Microbiome Research University of Oklahoma Norman OK USA

Department of Computer Science and Engineering University of California San Diego La Jolla CA USA

Department of Pediatrics University of California San Diego La Jolla CA USA

Department of Physics and Chemistry School of Pharmaceutical Sciences of Ribeirão Preto University of São Paulo Ribeirão Preto Brazil

Department of Phytochemistry and Bioactive Natural Products University of Geneva Geneva Switzerland

Division of Biological Sciences University of California San Diego La Jolla CA USA

Equipe PNAS UMR 8038 CiTCoM CNRS Faculté de Pharmacie de Paris Université Paris Descartes Paris France

German Centre for Integrative Biodiversity Research Halle Jena Leipzig Leipzig Germany

Institute for Bioinformatics and Medical Informatics University of Tübingen Tübingen Germany

Institute for Biomedicine Eurac Research Affiliated Institute of the University of Lübeck Bolzano Italy

Institute for Translational Bioinformatics University Hospital Tübingen Tübingen Germany

Institute of Chemistry Technische Universität Berlin Berlin Germany

Institute of Inorganic and Analytical Chemistry University of Münster Münster Germany

Institute of Microbiology of the Czech Academy of Sciences Prague Czech Republic

Laboratoire de Chimie des Produits Naturels UMR CNRS SPE Université de Corse Pascal Paoli Corte France

Nonlinear Dynamics Milford MA USA

Research Unit Analytical BioGeoChemistry Helmholtz Zentrum München München Germany

RIKEN Center for Integrative Medical Sciences Yokohama Japan

RIKEN Center for Sustainable Resource Science Yokohama Japan

School of Chemistry and Biochemistry Center for Microbial Dynamics and Infection Georgia Institute of Technology Atlanta GA USA

School of Computing Science University of Glasgow Glasgow UK

Scripps Institution of Oceanography University of California San Diego La Jolla CA USA

Section for Clinical Mass Spectrometry Department of Congenital Disorders Danish Center for Neonatal Screening Statens Serum Institut Copenhagen Denmark

Skaggs School of Pharmacy and Pharmaceutical Sciences University of California San Diego La Jolla CA USA

Skaggs School of Pharmacy and Pharmaceutical Sciences University of Colorado Denver Aurora CO USA

Structural and Computational Biology Unit European Molecular Biology Laboratory Heidelberg Germany

Univ Grenoble Alpes CNRS Grenoble INP CHU Grenoble Alpes TIMC IMAG Grenoble France

Waters Corporation Milford MA USA

Whitehead Institute for Biomedical Research Cambridge MA USA

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