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

2.50
Hdl Handle:
http://hdl.handle.net/10033/620564
Title:
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking.
Authors:
Wang, Mingxun; Carver, Jeremy J; Phelan, Vanessa V; Sanchez, Laura M; Garg, Neha; Peng, Yao; Nguyen, Don Duy; Watrous, Jeramie; Kapono, Clifford A; Luzzatto-Knaan, Tal; Porto, Carla; Bouslimani, Amina; Melnik, Alexey V; Meehan, Michael J; Liu, Wei-Ting; Crüsemann, Max; Boudreau, Paul D; Esquenazi, Eduardo; Sandoval-Calderón, Mario; Kersten, Roland D; Pace, Laura A; Quinn, Robert A; Duncan, Katherine R; Hsu, Cheng-Chih; Floros, Dimitrios J; Gavilan, Ronnie G; Kleigrewe, Karin; Northen, Trent; Dutton, Rachel J; Parrot, Delphine; Carlson, Erin E; Aigle, Bertrand; Michelsen, Charlotte F; Jelsbak, Lars; Sohlenkamp, Christian; Pevzner, Pavel; Edlund, Anna; McLean, Jeffrey; Piel, Jörn; Murphy, Brian T; Gerwick, Lena; Liaw, Chih-Chuang; Yang, Yu-Liang; Humpf, Hans-Ulrich; Maansson, Maria; Keyzers, Robert A; Sims, Amy C; Johnson, Andrew R; Sidebottom, Ashley M; Sedio, Brian E; Klitgaard, Andreas; Larson, Charles B; Boya P, Cristopher A; Torres-Mendoza, Daniel; Gonzalez, David J; Silva, Denise B; Marques, Lucas M; Demarque, Daniel P; Pociute, Egle; O'Neill, Ellis C; Briand, Enora; Helfrich, Eric J N; Granatosky, Eve A; Glukhov, Evgenia; Ryffel, Florian; Houson, Hailey; Mohimani, Hosein; Kharbush, Jenan J; Zeng, Yi; Vorholt, Julia A; Kurita, Kenji L; Charusanti, Pep; McPhail, Kerry L; Nielsen, Kristian Fog; Vuong, Lisa; Elfeki, Maryam; Traxler, Matthew F; Engene, Niclas; Koyama, Nobuhiro; Vining, Oliver B; Baric, Ralph; Silva, Ricardo R; Mascuch, Samantha J; Tomasi, Sophie; Jenkins, Stefan; Macherla, Venkat; Hoffman, Thomas; Agarwal, Vinayak; Williams, Philip G; Dai, Jingqui; Neupane, Ram; Gurr, Joshua; Rodríguez, Andrés M C; Lamsa, Anne; Zhang, Chen; Dorrestein, Kathleen; Duggan, Brendan M; Almaliti, Jehad; Allard, Pierre-Marie; Phapale, Prasad; Nothias, Louis-Felix; Alexandrov, Theodore; Litaudon, Marc; Wolfender, Jean-Luc; Kyle, Jennifer E; Metz, Thomas O; Peryea, Tyler; Nguyen, Dac-Trung; VanLeer, Danielle; Shinn, Paul; Jadhav, Ajit; Müller, Rolf ( 0000-0002-1042-5665 ) ; Waters, Katrina M; Shi, Wenyuan; Liu, Xueting; Zhang, Lixin; Knight, Rob; Jensen, Paul R; Palsson, Bernhard Ø; Pogliano, Kit; Linington, Roger G; Gutiérrez, Marcelino; Lopes, Norberto P; Gerwick, William H; Moore, Bradley S; Dorrestein, Pieter C; Bandeira, Nuno
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.
Affiliation:
Helmholtz-Institute for Pharmaceutical Research Saarland (HIPS),Saarland Universitätscampus E8.1, 66123 Saarbrücken, Germany.
Citation:
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. 2016, 34 (8):828-37 Nat. Biotechnol.
Journal:
Nature biotechnology
Issue Date:
9-Aug-2016
URI:
http://hdl.handle.net/10033/620564
DOI:
10.1038/nbt.3597
PubMed ID:
27504778
Type:
Article
ISSN:
1546-1696
Appears in Collections:
publications of the department of microbial natural substances ([HIPS]MINS)

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Mingxunen
dc.contributor.authorCarver, Jeremy Jen
dc.contributor.authorPhelan, Vanessa Ven
dc.contributor.authorSanchez, Laura Men
dc.contributor.authorGarg, Nehaen
dc.contributor.authorPeng, Yaoen
dc.contributor.authorNguyen, Don Duyen
dc.contributor.authorWatrous, Jeramieen
dc.contributor.authorKapono, Clifford Aen
dc.contributor.authorLuzzatto-Knaan, Talen
dc.contributor.authorPorto, Carlaen
dc.contributor.authorBouslimani, Aminaen
dc.contributor.authorMelnik, Alexey Ven
dc.contributor.authorMeehan, Michael Jen
dc.contributor.authorLiu, Wei-Tingen
dc.contributor.authorCrüsemann, Maxen
dc.contributor.authorBoudreau, Paul Den
dc.contributor.authorEsquenazi, Eduardoen
dc.contributor.authorSandoval-Calderón, Marioen
dc.contributor.authorKersten, Roland Den
dc.contributor.authorPace, Laura Aen
dc.contributor.authorQuinn, Robert Aen
dc.contributor.authorDuncan, Katherine Ren
dc.contributor.authorHsu, Cheng-Chihen
dc.contributor.authorFloros, Dimitrios Jen
dc.contributor.authorGavilan, Ronnie Gen
dc.contributor.authorKleigrewe, Karinen
dc.contributor.authorNorthen, Trenten
dc.contributor.authorDutton, Rachel Jen
dc.contributor.authorParrot, Delphineen
dc.contributor.authorCarlson, Erin Een
dc.contributor.authorAigle, Bertranden
dc.contributor.authorMichelsen, Charlotte Fen
dc.contributor.authorJelsbak, Larsen
dc.contributor.authorSohlenkamp, Christianen
dc.contributor.authorPevzner, Pavelen
dc.contributor.authorEdlund, Annaen
dc.contributor.authorMcLean, Jeffreyen
dc.contributor.authorPiel, Jörnen
dc.contributor.authorMurphy, Brian Ten
dc.contributor.authorGerwick, Lenaen
dc.contributor.authorLiaw, Chih-Chuangen
dc.contributor.authorYang, Yu-Liangen
dc.contributor.authorHumpf, Hans-Ulrichen
dc.contributor.authorMaansson, Mariaen
dc.contributor.authorKeyzers, Robert Aen
dc.contributor.authorSims, Amy Cen
dc.contributor.authorJohnson, Andrew Ren
dc.contributor.authorSidebottom, Ashley Men
dc.contributor.authorSedio, Brian Een
dc.contributor.authorKlitgaard, Andreasen
dc.contributor.authorLarson, Charles Ben
dc.contributor.authorBoya P, Cristopher Aen
dc.contributor.authorTorres-Mendoza, Danielen
dc.contributor.authorGonzalez, David Jen
dc.contributor.authorSilva, Denise Ben
dc.contributor.authorMarques, Lucas Men
dc.contributor.authorDemarque, Daniel Pen
dc.contributor.authorPociute, Egleen
dc.contributor.authorO'Neill, Ellis Cen
dc.contributor.authorBriand, Enoraen
dc.contributor.authorHelfrich, Eric J Nen
dc.contributor.authorGranatosky, Eve Aen
dc.contributor.authorGlukhov, Evgeniaen
dc.contributor.authorRyffel, Florianen
dc.contributor.authorHouson, Haileyen
dc.contributor.authorMohimani, Hoseinen
dc.contributor.authorKharbush, Jenan Jen
dc.contributor.authorZeng, Yien
dc.contributor.authorVorholt, Julia Aen
dc.contributor.authorKurita, Kenji Len
dc.contributor.authorCharusanti, Pepen
dc.contributor.authorMcPhail, Kerry Len
dc.contributor.authorNielsen, Kristian Fogen
dc.contributor.authorVuong, Lisaen
dc.contributor.authorElfeki, Maryamen
dc.contributor.authorTraxler, Matthew Fen
dc.contributor.authorEngene, Niclasen
dc.contributor.authorKoyama, Nobuhiroen
dc.contributor.authorVining, Oliver Ben
dc.contributor.authorBaric, Ralphen
dc.contributor.authorSilva, Ricardo Ren
dc.contributor.authorMascuch, Samantha Jen
dc.contributor.authorTomasi, Sophieen
dc.contributor.authorJenkins, Stefanen
dc.contributor.authorMacherla, Venkaten
dc.contributor.authorHoffman, Thomasen
dc.contributor.authorAgarwal, Vinayaken
dc.contributor.authorWilliams, Philip Gen
dc.contributor.authorDai, Jingquien
dc.contributor.authorNeupane, Ramen
dc.contributor.authorGurr, Joshuaen
dc.contributor.authorRodríguez, Andrés M Cen
dc.contributor.authorLamsa, Anneen
dc.contributor.authorZhang, Chenen
dc.contributor.authorDorrestein, Kathleenen
dc.contributor.authorDuggan, Brendan Men
dc.contributor.authorAlmaliti, Jehaden
dc.contributor.authorAllard, Pierre-Marieen
dc.contributor.authorPhapale, Prasaden
dc.contributor.authorNothias, Louis-Felixen
dc.contributor.authorAlexandrov, Theodoreen
dc.contributor.authorLitaudon, Marcen
dc.contributor.authorWolfender, Jean-Lucen
dc.contributor.authorKyle, Jennifer Een
dc.contributor.authorMetz, Thomas Oen
dc.contributor.authorPeryea, Tyleren
dc.contributor.authorNguyen, Dac-Trungen
dc.contributor.authorVanLeer, Danielleen
dc.contributor.authorShinn, Paulen
dc.contributor.authorJadhav, Ajiten
dc.contributor.authorMüller, Rolfen
dc.contributor.authorWaters, Katrina Men
dc.contributor.authorShi, Wenyuanen
dc.contributor.authorLiu, Xuetingen
dc.contributor.authorZhang, Lixinen
dc.contributor.authorKnight, Roben
dc.contributor.authorJensen, Paul Ren
dc.contributor.authorPalsson, Bernhard Øen
dc.contributor.authorPogliano, Kiten
dc.contributor.authorLinington, Roger Gen
dc.contributor.authorGutiérrez, Marcelinoen
dc.contributor.authorLopes, Norberto Pen
dc.contributor.authorGerwick, William Hen
dc.contributor.authorMoore, Bradley Sen
dc.contributor.authorDorrestein, Pieter Cen
dc.contributor.authorBandeira, Nunoen
dc.date.accessioned2016-10-27T09:10:59Z-
dc.date.available2016-10-27T09:10:59Z-
dc.date.issued2016-08-09-
dc.identifier.citationSharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. 2016, 34 (8):828-37 Nat. Biotechnol.en
dc.identifier.issn1546-1696-
dc.identifier.pmid27504778-
dc.identifier.doi10.1038/nbt.3597-
dc.identifier.urihttp://hdl.handle.net/10033/620564-
dc.description.abstractThe 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.en
dc.languageENG-
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/4.0/*
dc.titleSharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking.
dc.typeArticleen
dc.contributor.departmentHelmholtz-Institute for Pharmaceutical Research Saarland (HIPS),Saarland Universitätscampus E8.1, 66123 Saarbrücken, Germany.en
dc.identifier.journalNature biotechnologyen

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