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

Совместное использование и коллективная курирование данных масс-спектрометрии с помощью Global Natural Products Social Molecular Networking
Rob Knight, Jeramie D. Watrous, Brian T. Murphy, Trent R. Northen, Kenji L. Kurita, Roger G. Linington, Rolf Müller, Pieter C. Dorrestein, Bradley S. Moore, Andrés Mauricio Caraballo‐Rodríguez, Ricardo Silva, Alexey V. Melnik, Louis‐Félix Nothias, Mingxun Wang, Julia A. Vorholt, Jeremy Carver, Vanessa V. Phelan, Laura M. Sanchez, Neha Garg, Yao Peng, Don D. Nguyen, Clifford A. Kapono, Tal Luzzatto‐Knaan, Carla Porto, Amina Bouslimani, Michael J. Meehan, Wei-Ting Liu, Max Crüsemann, Paul D. Boudreau, Eduardo Esquenazi, Mario Sandoval‐Calderón, Roland D. Kersten, Laura Pace, Robert A. Quinn, Katherine Duncan, Cheng‐Chih Hsu, Dimitrios J. Floros, Ronnie G. Gavilán, Karin Kleigrewe, Rachel J. Dutton, Delphine Parrot, Erin E. Carlson, Bertrand Aigle, Charlotte Frydenlund Michelsen, Lars Jelsbak, Christian Sohlenkamp, Pavel A. Pevzner, Anna Edlund, Jeffrey S. McLean, Jörn Piel, Lena Gerwick, Chih‐Chuang Liaw, Yuliang Yang, Hans‐Ulrich Humpf, Maria Maansson, Robert A. Keyzers, Amy Sims, Andrew R. Johnson, Ashley M. Sidebottom, Brian E. Sedio, Andreas Klitgaard, Charles B. Larson, Cristopher A. Boya P., Daniel Torres‐Mendoza, David J. Gonzalez, Denise Brentan Silva, Lucas Maciel Mauriz Marques, Daniel P. Demarque, Eglė Pociūtė, 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, Pep Charusanti, Kerry L. McPhail, Kristian Fog Nielsen, Lisa Vuong, Maryam Elfeki, Matthew F. Traxler, Niclas Engene, Nobuhiro Koyama, Oliver B. Vining, Ralph S. Baric, Samantha J. Mascuch, Sophie Tomasi, Stefan Jenkins, Venkat R. Macherla, Thomas Hoffman, Vinayak Agarwal, Philip G. Williams, Jingqui Dai, Ram P. Neupane, Joshua R. Gurr, Anne Lamsa, Chen Zhang, Kathleen Dorrestein, Brendan M. Duggan, Jehad Almaliti, Pierre‐Marie Allard, Prasad Phapale, Theodore Alexandrov, Marc Litaudon, Jean‐Luc Wolfender, Jennifer Kyle, Thomas Metz, Tyler Peryea, Ðắc-Trung Nguyễn, Danielle VanLeer, Paul Shinn, Ajit Jadhav, Katrina M. Waters, Wenyuan Shi, Xueting Liu, Lixin Zhang, Paul R. Jensen, Bernhard Ø. Palsson, Kit Pogliano, Marcelino Gutiérrez, Norberto Peporine Lopes, William H. Gerwick, Nuno Bandeira, Bradley S Moore
2016-08-01

Global Natural Products Social Molecular NetworkingMS/MS spectral librariescrowdsourced curationliving datamass spectrometry
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.
1
Crowdsourced curation of community-wide reference MS libraries is designed to improve mass-spectral annotations.
2
Data-driven social networking in GNPS can facilitate spectrum identification and promote collaborations among researchers.
3
GNPS introduces “living data” through the continuous reanalysis of deposited mass-spectrometry datasets.
4
GNPS is introduced as an open-access knowledge base for organizing and sharing raw, processed, and identified MS/MS data on natural products.
5
The platform addresses the lack of searchable raw-data resources and limited data-sharing mechanisms in natural-products research.

Global Natural Products Social Molecular Networking (GNPS) knowledge base for mass spectrometry data

Community-wide organization, sharing, crowdsourced curation, annotation, and continuous reanalysis of natural-products MS/MS data

Publication Details
Publication Date
2016-08-01
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Authors
Rob Knight
Jeramie D. Watrous
Brian T. Murphy
Trent R. Northen
Kenji L. Kurita
Roger G. Linington
Rolf Müller
Pieter C. Dorrestein
Bradley S. Moore
Andrés Mauricio Caraballo‐Rodríguez
Ricardo Silva
Alexey V. Melnik
Louis‐Félix Nothias
Mingxun Wang
Julia A. Vorholt
Jeremy Carver
Vanessa V. Phelan
Laura M. Sanchez
Neha Garg
Yao Peng
Don D. Nguyen
Clifford A. Kapono
Tal Luzzatto‐Knaan
Carla Porto
Amina Bouslimani
Michael J. Meehan
Wei-Ting Liu
Max Crüsemann
Paul D. Boudreau
Eduardo Esquenazi
Mario Sandoval‐Calderón
Roland D. Kersten
Laura Pace
Robert A. Quinn
Katherine Duncan
Cheng‐Chih Hsu
Dimitrios J. Floros
Ronnie G. Gavilán
Karin Kleigrewe
Rachel J. Dutton
Delphine Parrot
Erin E. Carlson
Bertrand Aigle
Charlotte Frydenlund Michelsen
Lars Jelsbak
Christian Sohlenkamp
Pavel A. Pevzner
Anna Edlund
Jeffrey S. McLean
Jörn Piel
Lena Gerwick
Chih‐Chuang Liaw
Yuliang Yang
Hans‐Ulrich Humpf
Maria Maansson
Robert A. Keyzers
Amy Sims
Andrew R. Johnson
Ashley M. Sidebottom
Brian E. Sedio
Andreas Klitgaard
Charles B. Larson
Cristopher A. Boya P.
Daniel Torres‐Mendoza
David J. Gonzalez
Denise Brentan Silva
Lucas Maciel Mauriz Marques
Daniel P. Demarque
Eglė Pociūtė
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
Pep Charusanti
Kerry L. McPhail
Kristian Fog Nielsen
Lisa Vuong
Maryam Elfeki
Matthew F. Traxler
Niclas Engene
Nobuhiro Koyama
Oliver B. Vining
Ralph S. Baric
Samantha J. Mascuch
Sophie Tomasi
Stefan Jenkins
Venkat R. Macherla
Thomas Hoffman
Vinayak Agarwal
Philip G. Williams
Jingqui Dai
Ram P. Neupane
Joshua R. Gurr
Anne Lamsa
Chen Zhang
Kathleen Dorrestein
Brendan M. Duggan
Jehad Almaliti
Pierre‐Marie Allard
Prasad Phapale
Theodore Alexandrov
Marc Litaudon
Jean‐Luc Wolfender
Jennifer Kyle
Thomas Metz
Tyler Peryea
Ðắc-Trung Nguyễn
Danielle VanLeer
Paul Shinn
Ajit Jadhav
Katrina M. Waters
Wenyuan Shi
Xueting Liu
Lixin Zhang
Paul R. Jensen
Bernhard Ø. Palsson
Kit Pogliano
Marcelino Gutiérrez
Norberto Peporine Lopes
William H. Gerwick
Nuno Bandeira
Bradley S Moore
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