Understanding the distribution of hundreds of thousands of plant metabolites across the plant kingdom presents a challenge. To address this, we curated publicly available LC-MS/MS data from 19,075 plant extracts and developed the plantMASST reference database encompassing 246 botanical families, 1,469 genera, and 2,793 species. This taxonomically focused database facilitates the exploration of plant-derived molecules using tandem mass spectrometry (MS/MS) spectra. This tool will aid in drug discovery, biosynthesis, (chemo)taxonomy, and the evolutionary ecology of herbivore interactions.

Bioinformatics Group Wageningen University and Research 6708 PB Wageningen the Netherlands

Botanical garden of Neuchâtel

Brackenridge Field Laboratory University of Texas at Austin Austin TX USA

Center for Computational Mass Spectrometry Department of Computer Science and Engineering Skaggs School of Pharmacy and Pharmaceutical Sciences University of California San Diego San Diego 92093 0404 United States

Centro de Investigaciones en Productos Naturales Universidad de Costa Rica San José 11501 2060 Costa Rica

Collaborative Mass Spectrometry Innovation Center Skaggs School of Pharmacy and Pharmaceutical Sciences University of California San Diego La Jolla CA USA

College of Pharmacy and Inje Institute of Pharmaceutical Sciences and Research Inje University Gimhae Gyeongnam 50834 Republic of Korea

College of Pharmacy and Integrated Research Institute for Drug Development Dongguk University 32 Dongguk ro Goyang Gyeonggi do 10326 Korea

College of Pharmacy and Research Institute of Pharmaceutical Sciences Sookmyung Women's University Seoul Republic of Korea

College of Pharmacy Kangwon National University Chuncheon Republic of Korea

College of Pharmacy Korea University Sejong Republic of Korea

College of Pharmacy Yeungnam University Gyeongsan Republic of Korea

Conservation Ecology Center Smithsonian's National Zoo and Conservation Biology Institute Front Royal VA USA

Core Research Support Center for Natural Products and Medical Materials Yeungnam University Gyeongsan Republic of Korea

Department of Biochemistry University of Johannesburg Johannesburg 2006 South Africa

Department of Biology and Whitney R Harris World Ecology Center University of Missouri St Louis St Louis MO 63121 USA

Department of Biology Middlebury College Middlebury VT USA

Department of Biology University of Fribourg 1700 Fribourg Switzerland

Department of Biology Washington University in St Louis St Louis MO USA

Department of Biology Wilfrid Laurier University Waterloo ON Canada

Department of Chemistry Federal University of São Paulo Diadema SP 09972 270 Brazil

Department of Computer Science University of California Riverside Riverside CA 92521 United States

Department of Integrative Biology University of Texas at Austin Austin TX USA

Department of Medicinal Chemistry University of Michigan Ann Arbor MI USA

Department of Pharmacology College of Medicine Dongguk University Gyeongju Gyeongsangbuk do Republic of Korea

Department of Wildland Resources Utah State University Logan UT USA

Environmental Genomics and Systems Biology Division and the DOE Joint Genome Institute Lawrence Berkeley National Laboratory Berkeley CA 94720 United States

Escuela de Química Universidad de Costa Rica 2061 San José Costa Rica

Federal University of Amazonas Manaus Brazil

Federal University of São Paulo Diadema Brazil

Forest Ecology Group Smithsonian Environmental Research Center Edgewater MD USA

Forest Global Earth Observatory Smithsonian Tropical Research Institute Panama City Panama

Green Mission Pierre Fabre Institut de Recherche Pierre Fabre 3 Avenue Hubert Curien BP 13562 31562 Toulouse France

Herbario Nacional de Bolivia Universidad Mayor de San Andrés La Paz Bolivia

Institute of Biology University of Neuchâtel 2000 Neuchâtel Switzerland

Institute of Exact and Natural Sciences Federal University of Pará Belém 66075 110 Brazil

Institute of Health Sciences Faculty of Pharmacy Federal University of Pará Belém 66075 110 Brazil

Institute of Molecular Systems Biology ETH Zurich Zurich Switzerland

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Prague Czech Republic

Institute of Pharmaceutical Sciences of Western Switzerland University of Geneva CMU 1211 Geneva Switzerland

Laboratory for Functional Foods and Human Health Center for Excellence in Post Harvest Technologies North Carolina Agricultural and Technical State University North Carolina Research Campus Kannapolis NC USA

Laboratory of Liquid Chromatography Federal University of Pará Belém 66075 110 Brazil

Laboratory of Plant Physiology Plant Sciences Group Wageningen University Wageningen The Netherlands

Latin America Department Missouri Botanical Garden St Louis MO USA

Missouri Botanical Garden St Louis MO USA

Neuchâtel Platform of Analytical Chemistry University of Neuchâtel 2000 Neuchâtel Switzerland

Program in Chemical Biology University of Michigan Ann Arbor MI USA

Research Institute of Cell Culture Yeungnam University Gyeongsan Republic of Korea

School of Pharmaceutical Sciences University of Geneva CMU 1211 Geneva Switzerland

School of Pharmacy Sungkyunkwan University Suwon 16419 Republic of Korea

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

Smithsonian Environmental Research Center Edgewater MD USA

Smithsonian Tropical Research Institute Balboa Republic of Panama

Smithsonian Tropical Research Institute Republic of Panama

The DOE Joint Genome Institute Lawrence Berkeley National Laboratory One Cyclotron Road Berkeley CA 94720 United States

University of the State of Amazonas Manaus Brazil

Walter Mors Institute of Research on Natural Products Federal University of Rio de Janeiro Rio de Janeiro Brazil

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