SPLASH, a hashed identifier for mass spectra

Gert Wohlgemuth¹, Sajjan S Mehta¹, Ramon F Mejia², Steffen Neumann³, Diego Pedrosa¹, Tomáš Pluskal⁴, Emma L Schymanski⁵, Egon L Willighagen⁶, Michael Wilson⁷, David S Wishart⁷, Masanori Arita^{2

8}, Pieter C Dorrestein^{9

10}, Nuno Bandeira^{9

11

12}, Mingxun Wang^{11

12}, Tobias Schulze¹³, Reza M Salek¹⁴, Christoph Steinbeck¹⁴, Venkata Chandrasekhar Nainala¹⁴, Robert Mistrik¹⁵, Takaaki Nishioka¹⁶, Oliver Fiehn^{1

17}

Affiliations

¹ West Coast Metabolomics Center and Genome Center University of California Davis, Davis, California, USA.
² RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa, Japan.
³ Department of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, Halle, Germany.
⁴ Whitehead Institute for Biomedical Research, Nine Cambridge Center, Cambridge, Massachusetts, USA.
⁵ Eawag: Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, Switzerland.
⁶ Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, the Netherlands.
⁷ Department of Computing Science, University of Alberta, Edmonton, Alberta, Canada.
⁸ National Institute of Genetics, Mishima, Shizuoka, Japan.
⁹ Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, California, USA.
¹⁰ Departments of Pharmacology and Pediatrics, School of Medicine, UC San Diego, La Jolla, California, USA.
¹¹ Computer Science and Engineering, UC San Diego, La Jolla, California, USA.
¹² Center for Computational Mass Spectrometry, UC San Diego, La Jolla, California, USA.
¹³ Department of Effect-Directed Analysis, UFZ Helmholtz Centre for Environmental Research GmbH, Leipzig, Germany.
¹⁴ European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge, UK.
¹⁵ HighChem Ltd., Bratislava, Slovakia.
¹⁶ Graduate School of Agriculture, Kyoto University, Kitashirakawa Oiwake-cho, Kyoto, Japan.
¹⁷ Biochemistry Department, King Abdulaziz University, Jeddah, Saudi Arabia.

PMID: 27824832
PMCID: PMC5515539
DOI: 10.1038/nbt.3689

SPLASH, a hashed identifier for mass spectra

Gert Wohlgemuth et al. Nat Biotechnol. 2016.

. 2016 Nov 8;34(11):1099-1101.

doi: 10.1038/nbt.3689.

Authors

Affiliations

¹ West Coast Metabolomics Center and Genome Center University of California Davis, Davis, California, USA.
² RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa, Japan.
³ Department of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, Halle, Germany.
⁴ Whitehead Institute for Biomedical Research, Nine Cambridge Center, Cambridge, Massachusetts, USA.
⁵ Eawag: Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, Switzerland.
⁶ Department of Bioinformatics - BiGCaT, Maastricht University, Maastricht, the Netherlands.
⁷ Department of Computing Science, University of Alberta, Edmonton, Alberta, Canada.
⁸ National Institute of Genetics, Mishima, Shizuoka, Japan.
⁹ Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, UC San Diego, La Jolla, California, USA.
¹⁰ Departments of Pharmacology and Pediatrics, School of Medicine, UC San Diego, La Jolla, California, USA.
¹¹ Computer Science and Engineering, UC San Diego, La Jolla, California, USA.
¹² Center for Computational Mass Spectrometry, UC San Diego, La Jolla, California, USA.
¹³ Department of Effect-Directed Analysis, UFZ Helmholtz Centre for Environmental Research GmbH, Leipzig, Germany.
¹⁴ European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge, UK.
¹⁵ HighChem Ltd., Bratislava, Slovakia.
¹⁶ Graduate School of Agriculture, Kyoto University, Kitashirakawa Oiwake-cho, Kyoto, Japan.
¹⁷ Biochemistry Department, King Abdulaziz University, Jeddah, Saudi Arabia.

PMID: 27824832
PMCID: PMC5515539
DOI: 10.1038/nbt.3689

No abstract available

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Conflict of interest statement

Conflict of Interest

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

References

1. Horai H, et al. J Mass Spectrom. 2010;45:703–714. - PubMed
2. [accessed 8 June 2016]; http://www.massbank.jp.
3. [accessed 8 June 2016]; http://massbank.eu/MassBank/
4. [accessed 8 June 2016]; http://mona.fiehnlab.ucdavis.edu/
1. Wang M, et al. Nat Biotech. 2016;34:828–837. - PMC - PubMed
1. Wishart DS, et al. Nucleic Acids Res. 2013;41:D801–807. - PMC - PubMed
1. Haug K, et al. Nucl Acids Res. 2012:1–6. doi: 10.1093/nar/gks1004. - DOI
1. Stein SE, et al. NIST Mass Spectral Search Program and NIST/EPA/NIH Mass Spectral Library version 2.2. National Institute of Standards and Technology, U.S. Secretary of Commerce; USA: Jun, 2014.

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SPLASH, a hashed identifier for mass spectra

Affiliations

SPLASH, a hashed identifier for mass spectra

Authors

Affiliations

Conflict of interest statement

References

MeSH terms

Grants and funding

LinkOut - more resources

Full Text Sources

Other Literature Sources