Journal
NATURE METHODS
Volume 17, Issue 9, Pages 905-+Publisher
NATURE PORTFOLIO
DOI: 10.1038/s41592-020-0933-6
Keywords
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Funding
- U.S. National Institutes of Health (NIH) for the Center for Computational Mass Spectrometry grant [P41 GM103484, R03 CA211211, R01 GM107550, U19 AG063744 01]
- NIH [R35 GM128690, R24GM127667, 1R01LM013115, DP2GM137413]
- National Science Foundation (NSF) [ABI 1759980]
- European Union [704786, 634402, 777222]
- European Research Council
- Center for Microbiome Innovation from the University of California San Diego
- German Research Foundation (DFG) [PE 2600/1]
- Bundesministerium fur Bildung und Forschung [FKZ 031A430C, FKZ 031L0107]
- European Commission [EC654241, 823839]
- German Chemical Industry Fund (FCI) fellowship
- KAKENHI [18H02432, 18K19155]
- NSF [IOS-1656481]
- Bundesministerium fur Ernahrung und Landwirtschaft [FKZ 2816501214]
- Bundesministerium fur Wirtschaft und Energie [FKZ AiF18475N]
- Deutsche Forschungsgemeinschaft [BO 1910/20, BO 1910/20-1]
- Accelerating Scientific Discoveries Grant - Netherlands eScience Center (NLeSC) [ASDI.2017.030]
- BMBF [031L0107]
- Department of Navy, Office of Naval Research Multidisciplinary University Research Initiative (MURI) [N00014-15-1-2809]
- ALSAM Foundation
- project International Mobility of Researchers [CZ.02.2.69/0.0/0.0/16_027/0007990]
- American Society for Mass Spectrometry (Postdoctoral Career Development Award)
- National Research Foundation (NRF) of Korea (MSIT) [NRF-2019R1F1A1058068]
- Basic Science Research Program through the NRF [NRF- 2018R1C1B6002574]
- Vaincre la mucoviscidose
- Association Gregory Lemarchal
- Alfred P. Sloan Foundation
- Marie Curie Actions (MSCA) [704786] Funding Source: Marie Curie Actions (MSCA)
- Grants-in-Aid for Scientific Research [18H02432, 18K19155] Funding Source: KAKEN
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Feature-based molecular networking allows the generation of molecular networks for mass spectrometry data that can recognize isomers, incorporate relative quantification and integrate ion mobility data. 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.
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