Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

Mingxun Wang, Jeremy J. Carver, Vanessa V. Phelan, Laura M. Sanchez, Neha Garg, Yao Peng, Don Duy Nguyen, Jeramie Watrous, Clifford A. Kapono, Tal Luzzatto-Knaan, Carla Porto, Amina Bouslimani, Alexey V. Melnik, Michael J. Meehan, Wei Ting Liu, Max Crüsemann, Paul D. Boudreau, Eduardo Esquenazi, Mario Sandoval-Calderón, Roland D. KerstenLaura A. Pace, Robert A. Quinn, Katherine R. Duncan, Cheng Chih Hsu, Dimitrios J. Floros, Ronnie G. Gavilan, Karin Kleigrewe, Trent Northen, Rachel J. Dutton, Delphine Parrot, Erin E. Carlson, Bertrand Aigle, Charlotte F. Michelsen, Lars Jelsbak, Christian Sohlenkamp, Pavel Pevzner, Anna Edlund, Jeffrey McLean, Jörn Piel, Brian T. Murphy, Lena Gerwick, Chih Chuang Liaw, Yu Liang Yang, Hans Ulrich Humpf, Maria Maansson, Robert A. Keyzers, Amy C. Sims, Andrew R. Johnson, Ashley M. Sidebottom, Brian E. Sedio, Andreas Klitgaard, Charles B. Larson, Cristopher A P Boya, Daniel Torres-Mendoza, David J. Gonzalez, Denise B. Silva, Lucas M. Marques, Daniel P. Demarque, Egle Pociute, Ellis C. O'Neill, Enora Briand, Eric J N Helfrich, Eve A. Granatosky, Evgenia Glukhov, Florian Ryffel, Hailey Houson, Hosein Mohimani, Jenan J. Kharbush, Yi Zeng, Julia A. Vorholt, Kenji L. Kurita, Pep Charusanti, Kerry L. McPhail, Kristian Fog Nielsen, Lisa Vuong, Maryam Elfeki, Matthew F. Traxler, Niclas Engene, Nobuhiro Koyama, Oliver B. Vining, Ralph Baric, Ricardo R. Silva, Samantha J. Mascuch, Sophie Tomasi, Stefan Jenkins, Venkat Macherla, Thomas Hoffman, Vinayak Agarwal, Philip G. Williams, Jingqui Dai, Ram Neupane, Joshua Gurr, Andrés M C Rodríguez, Anne Lamsa, Chen Zhang, Kathleen Dorrestein, Brendan M. Duggan, Jehad Almaliti, Pierre Marie Allard, Prasad Phapale, Louis Felix Nothias, Theodore Alexandrov, Marc Litaudon, Jean Luc Wolfender, Jennifer E. Kyle, Thomas O. Metz, Tyler Peryea, Dac Trung Nguyen, Danielle VanLeer, Paul Shinn, Ajit Jadhav, Rolf Müller, Katrina M. Waters, Wenyuan Shi, Xueting Liu, Lixin Zhang, Rob Knight, Paul R. Jensen, Bernhard Palsson, Kit Pogliano, Roger G. Linington, Marcelino Gutiérrez, Norberto P. Lopes, William H. Gerwick, Bradley S. Moore, Pieter C. Dorrestein, Nuno Bandeira

Research output: Contribution to journalReview articlepeer-review

782 Scopus citations


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;, 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.

Original languageEnglish (US)
Pages (from-to)828-837
Number of pages10
JournalNature biotechnology
Issue number8
StatePublished - Sep 8 2016

Bibliographical note

Funding Information:
This work was partially supported by US National Institutes of Health (NIH) grants 5P41GM103484-07, GM094802, AI095125, GM097509, S10RR029121, UL1RR031980, GM085770, U01TW0007401, and U01AI12316-01; N.B. was also partially supported as an Alfred P. Sloan Fellow. In addition, this work was supported by the National Institute of Allergy and Infectious Diseases (NIAID), NIH, and the Department of Health and Human Services, under Contract Number HHSN272200800060C. V.V.P. is supported by the NIH grant K01 GM103809. L.M.S. is supported by NIH IRACDA K12 GM068524 award. T.L.-K. is supported by the United States-Israel Binational Agricultural Research and Development Fund Vaadia-BARD No. FI-494-13. C.P. is supported by Science without Borders Program from CNPq. A.M.C.R. is supported by S?o Paulo Research Foundation (FAPESP) grant#2014/01651-8, 2012/18031-7. K.K. was supported by a fellowship within the Postdoc-Programme of the German Academic Exchange Service (DAAD). M.C. was supported by a Deutsche Forschungsgemeinschaft (D.F.G.) postdoctoral fellowship. E.B. is supported by a Marie Curie IOF Fellowship within the 7th European Community Framework Program (FP7-PEOPLE-2011-IOF, grant number 301244-CYANOMIC). C.-C.L. was supported by a grant from the Ministry of Science and Technology of Taiwan (MOST103-2628-B-110-001-MY3). P.C. and B.?.P. were supported by the Novo Nordisk Foundation. Lixin Zhang and Xueting Liu are supported by the National Program on Key Basic Research Project (2013BC734000) and the National Natural Science Foundation of China (81102369 and 31125002). D.P. is supported by an INSA grant, Rennes. R.R.S. is supported by FAPESP grant#2014/01884-2. D.P.D. is supported by FAPESP grant#2014/18052-0. L.M.M. is supported by FAPESP grant#2013/16496-5. D.B.S. is supported by FAPESP grant#2012/18031-7. N.P.L. is supported by FAPESP(2014/50265-3), CAPES/PNPD, CNPq-PQ 480 306385/2011-2, and CNPq-INCT-if. E.A.G. is supported by the Notre Dame Chemistry-Biochemistry-Biology Interface (CBBI) program and NIH T32 GM075762. W.S. and J.S.M. are supported by grants from the National Institutes of Health 1R01DE023810-01 and 1R01GM095373. A.E. is supported by a grant from the NIH K99DE024543. C.F.M. and L.J. are supported by the Villum Foundation VKR023113, the Augustinus Foundation 13-4656, and the Aase & Ejnar Danielsens Foundation 10-001120. M.S.-C. was supported by UC MEXUS-CONACYT Collaborative Grant CN-12-552. M.F.T. was supported by NIH grant 1F32GM089044. Contributions by B.E.S. were supported by NSF grant DEB 1010816 and a Smithsonian Institution Grand Challenges Award. E.J.N.H. and J.P. are supported by the DFG (Forschergruppe 854) and by SNF grant IZLSZ3-149025. K.F.N. and A.K. are supported by the Danish Council for Independent Research, Technology, and Production Sciences (09-064967) and the Agilent Thought Leader Program. A.C.S. and R.S.B. were supported by NIH/NIAID U19-AI106772. B.T.M. and M.E. were supported under Department of Defense grant #W81XWH-13-1-0171. Contributions by O.B.V. and K.L.M. were supported by Oregon Sea Grant NA10OAR4170059/R/BT-48, NIH 5R21AI085540, and U01TW006634-06. E.E.C., A.M.S., and A.R.J. were supported by an NSF CAREER Award, a Pew Biomedical Scholar Award (E.E.C.), a Sloan Research Fellow Award (E.E.C.), the Research Corporation for Science Advancement (Cottrell Scholar Award; E.E.C.) and an Indiana University Quantitative Chemical Biology trainee fellowship (A.R.J.). M.M. was supported by the Danish Research Council for Technology and Production Science with Sapere Aude (116262). P.-M.A. was supported by FNS for fellowship on Subside (200020-146200). We thank V. Paul, R. Taylor, L. Aluwihare, F. Rohwer, B. Pullman, J. Fang, M. Overgaard, M. Katze, R.D. Smith, S.K. Mazmanian, W. Fenical, E. Macagno, X. He, and C. Neubauer for feedback and support for their laboratory personnel to contribute to the work. We thank B. Gust and co-workers at the University of Tuebingen for assisting us to obtain Streptomyces sp. DSM5940.

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