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Nature Research, Nature Biotechnology, 8(34), p. 828-837, 2016

DOI: 10.1038/nbt.3597

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

Journal article published in 2016 by Carver Jj, Phelan Vv, Sanchez Lm, Nguyen Dd, Kapono Ca, Vanessa V. Phelan, Laura M. Sanchez, Neha Garg, Don Duy Nguyen, Jeremy J. Carver, Mingxun Wang ORCID, Max Crüsemann ORCID, Rolf Muller, Clifford A. Kapono, Jeramie Watrous and other authors.
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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 techniques are well-suited to high-throughput characterization of natural products, 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.