Metabolomics

, Volume 10, Issue 3, pp 350–353 | Cite as

Metabolite identification: are you sure? And how do your peers gauge your confidence?

  • Darren J. Creek
  • Warwick B. Dunn
  • Oliver Fiehn
  • Julian L. Griffin
  • Robert D. Hall
  • Zhentian Lei
  • Robert Mistrik
  • Steffen Neumann
  • Emma L. Schymanski
  • Lloyd W. Sumner
  • Robert Trengove
  • Jean-Luc Wolfender
Opinion

References

  1. Dunn, W. B., Erban, A., Weber, R. J. M., Creek, D. J., Brown, M., Breitling, R., et al. (2013). Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics. Metabolomics, 9, S44–S66.CrossRefGoogle Scholar
  2. Kind, T., & Fiehn, O. (2010). Advances in structure elucidation of small molecules using mass spectrometry. Bioanalytical Reviews, 2, 23–60.CrossRefPubMedPubMedCentralGoogle Scholar
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  4. Salek, R. M., Steinbeck, C., Viant, M. R., Goodacre, R., & Dunn, W. B. (2013). The role of reporting standards for metabolite annotation and identification in metabolomic studies. Gigascience, 2, 13.CrossRefPubMedPubMedCentralGoogle Scholar
  5. Schymanski, E. L., Jeon, J., Gulde, R., Fenner, K., Ruff, M., Singer, H. P., et al. (2014). Identifying small molecules via high resolution mass spectrometry: communicating confidence. Environmental Science and Technology, 48, 2097–2098.CrossRefPubMedGoogle Scholar
  6. Schymanski, E. L., & Neumann, S. (2013). CASMI: and the winner is …. Metabolites, 3, 412–439.CrossRefPubMedPubMedCentralGoogle Scholar
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  9. van der Hooft, J. J., Mihaleva, V., de Vos, R. C., Bino, R. J., & Vervoort, J. (2011). A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR. Magnetic Resonance in Chemistry, 49(Suppl 1), S55–S60.CrossRefPubMedGoogle Scholar

Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • Darren J. Creek
    • 1
  • Warwick B. Dunn
    • 2
  • Oliver Fiehn
    • 3
  • Julian L. Griffin
    • 4
  • Robert D. Hall
    • 5
  • Zhentian Lei
    • 6
  • Robert Mistrik
    • 7
  • Steffen Neumann
    • 8
  • Emma L. Schymanski
    • 9
  • Lloyd W. Sumner
    • 6
  • Robert Trengove
    • 10
  • Jean-Luc Wolfender
    • 11
    • 12
  1. 1.Monash UniversityParkvilleAustralia
  2. 2.University of BirminghamBirminghamUK
  3. 3.University of California DavisDavisUSA
  4. 4.University of CambridgeCambridgeUK
  5. 5.Plant Research International and Wageningen UniversityWageningenThe Netherlands
  6. 6.The Samuel Roberts Noble FoundationArdmoreUSA
  7. 7.HighChem, Ltd.BratislavaSlovakia
  8. 8.Leibniz Institute of Plant BiochemistryHalle (Saale)Germany
  9. 9.Eawag: Swiss Federal Institute of Aquatic Science and TechnologyDübendorfSwitzerland
  10. 10.Murdoch UniversityMurdochAustralia
  11. 11.University of GenevaGenevaSwitzerland
  12. 12.University of LausanneLausanneSwitzerland

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