title: Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking.
abstract: The potential of the diverse chemistries present in natural products (NP) for biotechnology and medicine remains untapped because NP databases are not searchable with raw data and the NP community has no way to share data other than in published papers. Although mass spectrometry (MS) techniques are well-suited to high-throughput characterization of NP, there is a pressing need for an infrastructure to enable sharing and curation of data. We present Global Natural Products Social Molecular Networking (GNPS; http://gnps.ucsd.edu), an open-access knowledge base for community-wide organization and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations. Data-driven social-networking should facilitate identification of spectra and foster collaborations. We also introduce the concept of 'living data' through continuous reanalysis of deposited data.
authors: Computer Science and Engineering, UC San Diego, La Jolla, United States.|Center for Computational Mass Spectrometry, UC San Diego, La Jolla, United States.
authors: Mingxun
authors: M
authors: Wang
authors: Computer Science and Engineering, UC San Diego, La Jolla, United States.|Center for Computational Mass Spectrometry, UC San Diego, La Jolla, United States.
authors: Jeremy J
authors: JJ
authors: Carver
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Vanessa V
authors: VV
authors: Phelan
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Laura M
authors: LM
authors: Sanchez
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Neha
authors: N
authors: Garg
authors: Department of Chemistry and Biochemistry, UC San Diego, La Jolla, United States.
authors: Yao
authors: Y
authors: Peng
authors: Department of Chemistry and Biochemistry, UC San Diego, La Jolla, United States.
authors: Don Duy
authors: DD
authors: Nguyen
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Jeramie
authors: J
authors: Watrous
authors: Department of Chemistry and Biochemistry, UC San Diego, La Jolla, United States.
authors: Clifford A
authors: CA
authors: Kapono
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Tal
authors: T
authors: Luzzatto-Knaan
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Carla
authors: C
authors: Porto
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Amina
authors: A
authors: Bouslimani
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Alexey V
authors: AV
authors: Melnik
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Michael J
authors: MJ
authors: Meehan
authors: Department of Microbiology and Immunology, Stanford University, Palo Alto, United States.
authors: Wei-Ting
authors: WT
authors: Liu
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Max
authors: M
authors: Crüsemann
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Paul D
authors: PD
authors: Boudreau
authors: Sirenas Marine Discovery, San Diego, United States.
authors: Eduardo
authors: E
authors: Esquenazi
authors: Centro de Ciencias Genómicas, Universidad Nacional Autonoma de Mexico, Cuernavaca, Mexico.
authors: Mario
authors: M
authors: Sandoval-Calderón
authors: Salk Institute, Salk Institute, La Jolla, United States.
authors: Roland D
authors: RD
authors: Kersten
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Laura A
authors: LA
authors: Pace
authors: Biology Department, San Diego State University, San Diego, United States.
authors: Robert A
authors: RA
authors: Quinn
authors: Scottish Association for Marine Science, Scottish Marine Institute, Oban, United Kingdom.|Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Katherine R
authors: KR
authors: Duncan
authors: Department of Chemistry and Biochemistry, UC San Diego, La Jolla, United States.
authors: Cheng-Chih
authors: CC
authors: Hsu
authors: Department of Chemistry and Biochemistry, UC San Diego, La Jolla, United States.
authors: Dimitrios J
authors: DJ
authors: Floros
authors: Center for Drug Discovery and Biodiversity, INDICASAT, City of Knowledge, Panama.
authors: Ronnie G
authors: RG
authors: Gavilan
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Karin
authors: K
authors: Kleigrewe
authors: Genome Dynamics, Lawrence Berkeley National Laboratory, Berkeley, United States.
authors: Trent
authors: T
authors: Northen
authors: FAS Center for Systems Biology, Harvard, Cambridge, United States.
authors: Rachel J
authors: RJ
authors: Dutton
authors: Produits naturels - Synthèses - Chimie Médicinale, University of Rennes 1, Rennes Cedex, France.
authors: Delphine
authors: D
authors: Parrot
authors: Chemistry, University of Minnesota, Minneapolis, United States.
authors: Erin E
authors: EE
authors: Carlson
authors: Dynamique des Génomes et Adaptation Microbienne, University of Lorraine, Vandœuvre-lès-Nancy, France.
authors: Bertrand
authors: B
authors: Aigle
authors: Department of Systems Biology, Technical University of Denmark, Lyngby, Denmark.
authors: Charlotte F
authors: CF
authors: Michelsen
authors: Department of Systems Biology, Technical University of Denmark, Lyngby, Denmark.
authors: Lars
authors: L
authors: Jelsbak
authors: Centro de Ciencias Genómicas, Universidad Nacional Autonoma de Mexico, Cuernavaca, Mexico.
authors: Christian
authors: C
authors: Sohlenkamp
authors: Center for Computational Mass Spectrometry, UC San Diego, La Jolla, United States.|Computer Science and Engineering, UC San Diego, La Jolla, United States.
authors: Pavel
authors: P
authors: Pevzner
authors: Microbial and Environmental Genomics, J. Craig Venter Institute, La Jolla, United States.|School of Dentistry, UC Los Angeles, Los Angeles, United States.
authors: Anna
authors: A
authors: Edlund
authors: Department of Periodontics, University of Washington, Seattle, United States.|School of Dentistry, UC Los Angeles, Los Angeles, United States.
authors: Jeffrey
authors: J
authors: McLean
authors: Institute of Microbiology, ETH Zurich, Zurich, Switzerland.
authors: Jörn
authors: J
authors: Piel
authors: Department of Medicinal Chemistry and Pharmacognosy, University of Illinois Chicago, Chicago, United States.
authors: Brian T
authors: BT
authors: Murphy
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Lena
authors: L
authors: Gerwick
authors: Department of Marine Biotechnology and Resources, National Sun Yat-sen University, Kaohsiung, Taiwan.
authors: Chih-Chuang
authors: CC
authors: Liaw
authors: Agricultural Biotechnology Research Center, Academia Sinica, Taipei, Taiwan.
authors: Yu-Liang
authors: YL
authors: Yang
authors: Institute of Food Chemistry, University of Münster, Münster, Germany.
authors: Hans-Ulrich
authors: HU
authors: Humpf
authors: Department of Systems Biology, Technical University of Denmark, Lyngby, Denmark.
authors: Maria
authors: M
authors: Maansson
authors: School of Chemical & Physical Sciences, and Centre for Biodiscovery, Victoria University of Wellington, Wellington, New Zealand.
authors: Robert A
authors: RA
authors: Keyzers
authors: Gillings School of Global Public Health, Department of Epidemiology, UNC Chapel Hill, Chapel Hill, United States.
authors: Amy C
authors: AC
authors: Sims
authors: Department of Chemistry, Indiana University, Bloomington, United States.
authors: Andrew R
authors: AR
authors: Johnson
authors: Department of Chemistry, Indiana University, Bloomington, United States.
authors: Ashley M
authors: AM
authors: Sidebottom
authors: Smithsonian Tropical Research Institute, Ancón, Panama.|Center for Drug Discovery and Biodiversity, INDICASAT, City of Knowledge, Panama.
authors: Brian E
authors: BE
authors: Sedio
authors: Department of Systems Biology, Technical University of Denmark, Lyngby, Denmark.
authors: Andreas
authors: A
authors: Klitgaard
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.|Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Charles B
authors: CB
authors: Larson
authors: Center for Drug Discovery and Biodiversity, INDICASAT, City of Knowledge, Panama.
authors: Cristopher A Boya
authors: CAB
authors: P
authors: Center for Drug Discovery and Biodiversity, INDICASAT, City of Knowledge, Panama.
authors: Daniel
authors: D
authors: Torres-Mendoza
authors: Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.|Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: David J
authors: DJ
authors: Gonzalez
authors: School of Pharmaceutical Sciences of Ribeirao Preto, University of São Paulo, São Paulo, Brazil.|Centro de Ciencias Biologicas e da Saude, Universidade Fderal de Mato Grosso do Sul, Campo Grande, Brazil.
authors: Denise B
authors: DB
authors: Silva
authors: School of Pharmaceutical Sciences of Ribeirao Preto, University of São Paulo, São Paulo, Brazil.
authors: Lucas M
authors: LM
authors: Marques
authors: School of Pharmaceutical Sciences of Ribeirao Preto, University of São Paulo, São Paulo, Brazil.
authors: Daniel P
authors: DP
authors: Demarque
authors: Sirenas Marine Discovery, San Diego, United States.
authors: Egle
authors: E
authors: Pociute
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Ellis C
authors: EC
authors: O'Neill
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.|UMR CNRS 6553 ECOBIO, University of Rennes 1, Rennes Cedex, France.
authors: Enora
authors: E
authors: Briand
authors: Institute of Microbiology, ETH Zurich, Zurich, Switzerland.
authors: Eric J N
authors: EJN
authors: Helfrich
authors: Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, United States.
authors: Eve A
authors: EA
authors: Granatosky
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Evgenia
authors: E
authors: Glukhov
authors: Institute of Microbiology, ETH Zurich, Zurich, Switzerland.
authors: Florian
authors: F
authors: Ryffel
authors: Sirenas Marine Discovery, San Diego, United States.
authors: Hailey
authors: H
authors: Houson
authors: Center for Computational Mass Spectrometry, UC San Diego, La Jolla, United States.
authors: Hosein
authors: H
authors: Mohimani
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Jenan J
authors: JJ
authors: Kharbush
authors: Department of Chemistry and Biochemistry, UC San Diego, La Jolla, United States.
authors: Yi
authors: Y
authors: Zeng
authors: Institute of Microbiology, ETH Zurich, Zurich, Switzerland.
authors: Julia A
authors: JA
authors: Vorholt
authors: PBSci-Chemistry & Biochemistry Department, UC Santa Cruz, Santa Cruz, United States.
authors: Kenji L
authors: KL
authors: Kurita
authors: Department of Bioengineering, UC San Diego, La Jolla, United States.
authors: Pep
authors: P
authors: Charusanti
authors: Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, United States.
authors: Kerry L
authors: KL
authors: McPhail
authors: Department of Systems Biology, Technical University of Denmark, Lyngby, Denmark.
authors: Kristian Fog
authors: KF
authors: Nielsen
authors: Sirenas Marine Discovery, San Diego, United States.
authors: Lisa
authors: L
authors: Vuong
authors: Department of Medicinal Chemistry and Pharmacognosy, University of Illinois Chicago, Chicago, United States.
authors: Maryam
authors: M
authors: Elfeki
authors: Department of Plant and Microbial Biology, UC Berkeley, Berkeley, United States.
authors: Matthew F
authors: MF
authors: Traxler
authors: Department of Biological Sciences, Florida International University, Miami, United States.
authors: Niclas
authors: N
authors: Engene
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Nobuhiro
authors: N
authors: Koyama
authors: Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, United States.
authors: Oliver B
authors: OB
authors: Vining
authors: Gillings School of Global Public Health, Department of Epidemiology, UNC Chapel Hill, Chapel Hill, United States.
authors: Ralph
authors: R
authors: Baric
authors: School of Pharmaceutical Sciences of Ribeirao Preto, University of São Paulo, São Paulo, Brazil.
authors: Ricardo R
authors: RR
authors: Silva
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Samantha J
authors: SJ
authors: Mascuch
authors: Produits naturels - Synthèses - Chimie Médicinale, University of Rennes 1, Rennes Cedex, France.
authors: Sophie
authors: S
authors: Tomasi
authors: Genome Dynamics, Lawrence Berkeley National Laboratory, Berkeley, United States.
authors: Stefan
authors: S
authors: Jenkins
authors: Sirenas Marine Discovery, San Diego, United States.
authors: Venkat
authors: V
authors: Macherla
authors: Department of Pharmaceutical Biotechnology, Helmholtz Institute for Pharmaceutical Research Saarland, Saarbrücken, Germany.
authors: Thomas
authors: T
authors: Hoffman
authors: Center for Oceans and Human Health, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Vinayak
authors: V
authors: Agarwal
authors: Department of Chemistry, University of Hawaii at Manoa, Honolulu, United States.
authors: Philip G
authors: PG
authors: Williams
authors: Department of Chemistry, University of Hawaii at Manoa, Honolulu, United States.
authors: Jingqui
authors: J
authors: Dai
authors: Department of Chemistry, University of Hawaii at Manoa, Honolulu, United States.
authors: Ram
authors: R
authors: Neupane
authors: Department of Chemistry, University of Hawaii at Manoa, Honolulu, United States.
authors: Joshua
authors: J
authors: Gurr
authors: School of Pharmaceutical Sciences of Ribeirao Preto, University of São Paulo, São Paulo, Brazil.
authors: Andrés M C
authors: AMC
authors: Rodríguez
authors: Division of Biological Sciences, UC San Diego, La Jolla, United States.
authors: Anne
authors: A
authors: Lamsa
authors: Department of Nanoengineering, UC San Diego, La Jolla, United States.
authors: Chen
authors: C
authors: Zhang
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Kathleen
authors: K
authors: Dorrestein
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Brendan M
authors: BM
authors: Duggan
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Jehad
authors: J
authors: Almaliti
authors: School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.
authors: Pierre-Marie
authors: PM
authors: Allard
authors: Structural and Computational Biology, European Molecular Biology Laboratory, Heidelberg, Germany.
authors: Prasad
authors: P
authors: Phapale
authors: Institut de Chimie des Substances Naturelles, CNRS-ICSN, UPR 2301, Labex CEBA, University of Paris-Saclay, Gif-sur-Yvette, France.
authors: Louis-Felix
authors: LF
authors: Nothias
authors: Structural and Computational Biology, European Molecular Biology Laboratory, Heidelberg, Germany.
authors: Theodore
authors: T
authors: Alexandrov
authors: Institut de Chimie des Substances Naturelles, CNRS-ICSN, UPR 2301, Labex CEBA, University of Paris-Saclay, Gif-sur-Yvette, France.
authors: Marc
authors: M
authors: Litaudon
authors: School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.
authors: Jean-Luc
authors: JL
authors: Wolfender
authors: Biological Sciences, Pacific Northwest National Laboratory, Richland, United States.
authors: Jennifer E
authors: JE
authors: Kyle
authors: Biological Sciences, Pacific Northwest National Laboratory, Richland, United States.
authors: Thomas O
authors: TO
authors: Metz
authors: National Center for Advancing Translational Sciences, National Institute of Health, Rockville, United States.
authors: Tyler
authors: T
authors: Peryea
authors: National Center for Advancing Translational Sciences, National Institute of Health, Rockville, United States.
authors: Dac-Trung
authors: DT
authors: Nguyen
authors: National Center for Advancing Translational Sciences, National Institute of Health, Rockville, United States.
authors: Danielle
authors: D
authors: VanLeer
authors: National Center for Advancing Translational Sciences, National Institute of Health, Rockville, United States.
authors: Paul
authors: P
authors: Shinn
authors: National Center for Advancing Translational Sciences, National Institute of Health, Rockville, United States.
authors: Ajit
authors: A
authors: Jadhav
authors: Department of Pharmaceutical Biotechnology, Helmholtz Institute for Pharmaceutical Research Saarland, Saarbrücken, Germany.
authors: Rolf
authors: R
authors: Müller
authors: Biological Sciences, Pacific Northwest National Laboratory, Richland, United States.
authors: Katrina M
authors: KM
authors: Waters
authors: School of Dentistry, UC Los Angeles, Los Angeles, United States.
authors: Wenyuan
authors: W
authors: Shi
authors: Institute of Microbiology, Chinese Academy of Sciences, Beijing, China.
authors: Xueting
authors: X
authors: Liu
authors: Institute of Microbiology, Chinese Academy of Sciences, Beijing, China.
authors: Lixin
authors: L
authors: Zhang
authors: Department of Pediatrics, UC San Diego, La Jolla, United States.
authors: Rob
authors: R
authors: Knight
authors: Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Paul R
authors: PR
authors: Jensen
authors: Department of Bioengineering, UC San Diego, La Jolla, United States.
authors: Bernhard O
authors: BO
authors: Palsson
authors: Division of Biological Sciences, UC San Diego, La Jolla, United States.
authors: Kit
authors: K
authors: Pogliano
authors: PBSci-Chemistry & Biochemistry Department, UC Santa Cruz, Santa Cruz, United States.
authors: Roger G
authors: RG
authors: Linington
authors: Center for Drug Discovery and Biodiversity, INDICASAT, City of Knowledge, Panama.
authors: Marcelino
authors: M
authors: Gutiérrez
authors: School of Pharmaceutical Sciences of Ribeirao Preto, University of São Paulo, São Paulo, Brazil.
authors: Norberto P
authors: NP
authors: Lopes
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.|Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: William H
authors: WH
authors: Gerwick
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.|Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.|Center for Oceans and Human Health, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.
authors: Bradley S
authors: BS
authors: Moore
authors: Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.|Center for Marine Biotechnology and Biomedicine, Scripps Institute of Oceanography, UC San Diego, La Jolla, United States.|Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Pieter C
authors: PC
authors: Dorrestein
authors: Center for Computational Mass Spectrometry, UC San Diego, La Jolla, United States.|Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.|Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, United States.
authors: Nuno
authors: N
authors: Bandeira
mesh_terms: D001688:Biological Products / Q000737:chemistry* / Q000145:classification*; D066289:Data Curation / Q000379:methods*; D003628:Database Management Systems; D062126:Databases, Chemical; D033181:Information Dissemination / Q000379:methods*; D016247:Information Storage and Retrieval / Q000379:methods; D038622:Internationality; D013058:Mass Spectrometry / Q000706:statistics & numerical data*
chemical_list: D001688:Biological Products