Literature DB >> 27504778

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

Mingxun Wang1,2, Jeremy J Carver1,2, Vanessa V Phelan3, Laura M Sanchez3, Neha Garg3, Yao Peng4, Don Duy Nguyen4, Jeramie Watrous3, Clifford A Kapono4, Tal Luzzatto-Knaan3, Carla Porto3, Amina Bouslimani3, Alexey V Melnik3, Michael J Meehan3, Wei-Ting Liu5, Max Crüsemann6, Paul D Boudreau6, Eduardo Esquenazi7, Mario Sandoval-Calderón8, Roland D Kersten9, Laura A Pace3, Robert A Quinn10, Katherine R Duncan11,6, Cheng-Chih Hsu4, Dimitrios J Floros4, Ronnie G Gavilan12, Karin Kleigrewe6, Trent Northen13, Rachel J Dutton14, Delphine Parrot15, Erin E Carlson16, Bertrand Aigle17, Charlotte F Michelsen18, Lars Jelsbak18, Christian Sohlenkamp8, Pavel Pevzner2,1, Anna Edlund19,20, Jeffrey McLean21,20, Jörn Piel22, Brian T Murphy23, Lena Gerwick6, Chih-Chuang Liaw24, Yu-Liang Yang25, Hans-Ulrich Humpf26, Maria Maansson18, Robert A Keyzers27, Amy C Sims28, Andrew R Johnson29, Ashley M Sidebottom29, Brian E Sedio30,12, Andreas Klitgaard18, Charles B Larson6,31, Cristopher A Boya P12, Daniel Torres-Mendoza12, David J Gonzalez31,3, Denise B Silva32,33, Lucas M Marques32, Daniel P Demarque32, Egle Pociute7, Ellis C O'Neill6, Enora Briand6,34, Eric J N Helfrich22, Eve A Granatosky35, Evgenia Glukhov6, Florian Ryffel22, Hailey Houson7, Hosein Mohimani2, Jenan J Kharbush6, Yi Zeng4, Julia A Vorholt22, Kenji L Kurita36, Pep Charusanti37, Kerry L McPhail38, Kristian Fog Nielsen18, Lisa Vuong7, Maryam Elfeki23, Matthew F Traxler39, Niclas Engene40, Nobuhiro Koyama3, Oliver B Vining38, Ralph Baric28, Ricardo R Silva32, Samantha J Mascuch6, Sophie Tomasi15, Stefan Jenkins13, Venkat Macherla7, Thomas Hoffman41, Vinayak Agarwal42, Philip G Williams43, Jingqui Dai43, Ram Neupane43, Joshua Gurr43, Andrés M C Rodríguez32, Anne Lamsa44, Chen Zhang45, Kathleen Dorrestein3, Brendan M Duggan3, Jehad Almaliti3, Pierre-Marie Allard46, Prasad Phapale47, Louis-Felix Nothias48, Theodore Alexandrov47, Marc Litaudon48, Jean-Luc Wolfender46, Jennifer E Kyle49, Thomas O Metz49, Tyler Peryea50, Dac-Trung Nguyen50, Danielle VanLeer50, Paul Shinn50, Ajit Jadhav50, Rolf Müller41, Katrina M Waters49, Wenyuan Shi20, Xueting Liu51, Lixin Zhang51, Rob Knight52, Paul R Jensen6, Bernhard O Palsson37, Kit Pogliano44, Roger G Linington36, Marcelino Gutiérrez12, Norberto P Lopes32, William H Gerwick3,6, Bradley S Moore3,6,42, Pieter C Dorrestein3,6,31, Nuno Bandeira2,3,31.   

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.

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Year:  2016        PMID: 27504778      PMCID: PMC5321674          DOI: 10.1038/nbt.3597

Source DB:  PubMed          Journal:  Nat Biotechnol        ISSN: 1087-0156            Impact factor:   54.908


  61 in total

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