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

Mingxun Wang, Jeremy J. Carver, Pavel Pevzner, Hosein Mohiman, Nuno Bandeira, Vanessa V. Phelan, Laura M. Sanchez, Neha Garg, Jeramie Watrous, Tal Luzzatto-Knaa, Charlotte Frydenlund Michelsen, Lars Jelsbak, Maria Månsson, Andreas Klitgaard, Kristian Fog Nielsen

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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 (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.
    Original languageEnglish
    JournalNature Biotechnology
    Volume34
    Issue number8
    Pages (from-to)828-837
    Number of pages10
    ISSN1087-0156
    DOIs
    Publication statusPublished - 2016

    Bibliographical note

    For full list of authors, see the publication.

    Keywords

    • Computational platforms and environments
    • Mass spectrometry

    Cite this

    Wang, M., Carver, J. J., Pevzner, P., Mohiman, H., Bandeira, N., Phelan, V. V., Sanchez, L. M., Garg, N., Watrous, J., Luzzatto-Knaa, T., Frydenlund Michelsen, C., Jelsbak, L., Månsson, M., Klitgaard, A., & Nielsen, K. F. (2016). Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. Nature Biotechnology, 34(8), 828-837. https://doi.org/10.1038/nbt.3597