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

Authors
Mingxun Wang,Jeremy Carver
Vanessa Phelan,Laura Sanchez,Neha Garg,Yao Peng,Don Nguyen,Jeramie Watrous,Clifford Kapono,Tal Luzzatto‐Knaan,Carla Porto,Amina Bouslimani,Alexey Melnik,Michael Meehan,Wei-Ting Liu,Max Crüsemann,Paul Boudreau,Eduardo Esquenazi,Mario Sandoval‐Calderón,Roland Kersten,Laura Pace,Robert Quinn,Katherine Duncan,Cheng‐Chih Hsu,Dimitrios Floros,Ronnie Gavilán,Karin Kleigrewe,Trent Northen,Rachel Dutton,Delphine Parrot,Erin Carlson,Bertrand Aigle,Charlotte Michelsen,Lars Jelsbak,Christian Sohlenkamp,Pavel Pevzner,Anna Edlund,Jeffrey McLean,Jörn Piel,Brian Murphy,Lena Gerwick,Chih‐Chuang Liaw,Yuliang Yang,Hans‐Ulrich Humpf,Maria Maansson,Robert Keyzers,Amy Sims,Andrew Johnson,Ashley Sidebottom,Brian Sedio,Andreas Klitgaard,Christopher Larson,Cristopher P.,Daniel Torres‐Mendoza,David Gonzalez,Denise Silva,Lucas Marques,Daniel Demarque,Eglė Pociūtė,Ellis O’Neill,Enora Briand,Eric Helfrich,Eve Granatosky,Evgenia Glukhov,Florian Ryffel,Hailey Houson,Hosein Mohimani,Jenan Kharbush,Yi Zeng,Julia Vorholt,Kenji Kurita,Pep Charusanti,Kerry McPhail,Kristian Nielsen,Lisa Vuong,Maryam Elfeki,Matthew Traxler,Niclas Engene,Nobuhiro Koyama,Oliver Vining,Ralph Baric,Ricardo Silva,Samantha Mascuch,Sophie Tomasi,Stefan Jenkins,Venkat Macherla,Thomas Hoffman,Vinayak Agarwal,Philip Williams,Jingqui Dai,Ram Neupane,Joshua Gurr,Andrés Caraballo‐Rodríguez,Anne Lamsa,Chen Zhang,Kathleen Dorrestein,Brendan Duggan,Jehad Almaliti,Pierre‐Marie Allard,Prasad Phapale,Louis‐Félix Nothias,Theodore Alexandrov,Marc Litaudon,Jean‐Luc Wolfender,Jennifer Kyle,Thomas Metz,Tyler Peryea,Ðắc-Trung Nguyễn,Danielle VanLeer,Paul Shinn,Ajit Jadhav,Rolf Müller,Katrina Waters,Wenyuan Shi,Xueting Liu,Lixin Zhang,Rob Knight,Paul Jensen,Bernhard Palsson,Kit Pogliano,Roger Linington,Marcelino Gutiérrez,Norberto Lopes,William Gerwick,Bradley Moore,Pieter Dorrestein
+124 authors
,Nuno Bandeira
Published
Aug 1, 2016
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Abstract

GNPS is an open-access community-curated analysis platform for sharing natural product mass spectrometry data that enables continuous, automatic reanalysis of deposited 'living' data sets. 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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