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SPLASH, a hashed identifier for mass spectra

Nature Biotechnology volume 34, pages 1099–1101 (2016)Cite this article

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To the Editor:

Over the past few years, as the use of mass spectrometry (MS) has increased, multiple spectral libraries, databases and software frameworks have been created to enable sharing and searching of MS data. However, finding all the spectra that correspond to a specific compound across different databases continues to be a challenge. A spectral identifier that improves the exchange of mass spectra, as well as provenance and duplicate detection, would address these issues and enhance searchability.

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Acknowledgements

G.W., S.S.M., D.P. and O.F. were supported by National Institute of Health U24 DK097154 and National Science Foundation MCB 1139644; M.W., P.C.D. and N.B. by the National Institutes of Health 5P41GM103484 for the Center for Computational Mass Spectrometry; E.L.S. by SOLUTIONS (European Union's Seventh Framework Programme Grant Agreement No. 603437); P.C.D. by the European Union's Horizon2020 program under the Grant Agreement No. 634402 (METASPACE); R.F.M. was funded by the Database Integration Coordination Program of the National Bioscience Database Center, Japan. European MassBank is supported by the NORMAN Association (France) and hosted by the Helmholtz Centre for Environmental Research. Discussions with anonymous parties, T. Hofstetter and the reviewer feedback are gratefully acknowledged.

Author information

Authors and Affiliations

  1. West Coast Metabolomics Center and Genome Center University of California Davis, Davis, California, USA

    Gert Wohlgemuth, Sajjan S Mehta, Diego Pedrosa & Oliver Fiehn

  2. RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa, Japan

    Ramon F Mejia & Masanori Arita

  3. Department of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, Halle, Germany

    Steffen Neumann

  4. Whitehead Institute for Biomedical Research, Nine Cambridge Center, Cambridge, Massachusetts, USA

    Tomáš Pluskal

  5. Eawag: Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, Switzerland

    Emma L Schymanski

  6. Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, the Netherlands

    Egon L Willighagen

  7. Department of Computing Science, University of Alberta, Edmonton, Alberta, Canada

    Michael Wilson & David S Wishart

  8. National Institute of Genetics, Mishima, Shizuoka, Japan

    Masanori Arita

  9. Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, California, USA

    Pieter C Dorrestein & Nuno Bandeira

  10. Departments of Pharmacology and Pediatrics, School of Medicine, UC San Diego, La Jolla, California, USA

    Pieter C Dorrestein

  11. Computer Science and Engineering, UC San Diego, La Jolla, California, USA

    Nuno Bandeira & Mingxun Wang

  12. Center for Computational Mass Spectrometry, UC San Diego, La Jolla, California, USA

    Nuno Bandeira & Mingxun Wang

  13. Department of Effect-Directed Analysis, UFZ Helmholtz Centre for Environmental Research GmbH, Leipzig, Germany

    Tobias Schulze

  14. European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge, UK

    Reza M Salek, Christoph Steinbeck & Venkata Chandrasekhar Nainala

  15. HighChem Ltd., Bratislava, Slovakia

    Robert Mistrik

  16. Graduate School of Agriculture, Kyoto University, Kitashirakawa Oiwake-cho, Kyoto, Japan

    Takaaki Nishioka

  17. Biochemistry Department, King Abdulaziz University, Jeddah, Saudi Arabia

    Oliver Fiehn

Authors
  1. Gert Wohlgemuth
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  2. Sajjan S Mehta
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  3. Ramon F Mejia
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  4. Steffen Neumann
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  5. Diego Pedrosa
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  6. Tomáš Pluskal
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  7. Emma L Schymanski
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  8. Egon L Willighagen
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  9. Michael Wilson
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  10. David S Wishart
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  13. Nuno Bandeira
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  14. Mingxun Wang
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  15. Tobias Schulze
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  16. Reza M Salek
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  17. Christoph Steinbeck
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  18. Venkata Chandrasekhar Nainala
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  19. Robert Mistrik
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  20. Takaaki Nishioka
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  21. Oliver Fiehn
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Corresponding authors

Correspondence to Gert Wohlgemuth, Emma L Schymanski or Oliver Fiehn.

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Competing interests

P.C.D. is on the scientific advisory board to Sirenas Marine Biosciences. Robert Mistrik derives income from mzCloud licensing.

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Wohlgemuth, G., Mehta, S., Mejia, R. et al. SPLASH, a hashed identifier for mass spectra. Nat Biotechnol 34, 1099–1101 (2016). https://doi.org/10.1038/nbt.3689

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