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Metabolite identification via the Madison Metabolomics Consortium Database

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Figure 1: Sensitivity and false discovery rates of the MMCD for batch analysis of mixtures using 1H-13C HSQC NMR data as a function of the user-controllable peak-matching thresholds.
Figure 2: The MMCD mass search engine.

References

  1. Mendes, P. Brief Bioinform. 3, 134–145 (2002).

    Article  CAS  PubMed  Google Scholar 

  2. Nicholson, J.K., Lindon, J.C. & Holmes, E. Xenobiotica 29, 1181–1189 (1999).

    Article  CAS  PubMed  Google Scholar 

  3. Pauling, L., Robinson, A.B., Teranishi, R. & Cary, P. Proc. Natl Acad. Sci. USA 68, 2374–2376 (1971).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  4. Viant, M.R., Rosenblum, E.S. & Tieerdema, R.S. Environ. Sci Technol. 37, 4982–4989 (2003).

    Article  CAS  PubMed  Google Scholar 

  5. Dettmer, K., Aronov, P.A. & Hammock, B.D. Mass Spectrom. Rev. 26, 51–78 (2006).

    Article  CAS  Google Scholar 

  6. Markley, J.L . et al. Pac. Symp. Biocomput. 12, 157–168 (2007).

    Google Scholar 

  7. Wishart, D.S. et al. Nucleic Acids Res. 35, D521–D526 (2007).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  8. Weininger, D., Weininger, A. & Weininger, J.L. J. Chem. Inf. Comput. Sci. 29, 97–101 (1989).

    Article  CAS  Google Scholar 

  9. Lewis, I.A. et al. Anal. Chem. 79, 9385–9390 (2007).

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  10. Ulrich, E.L. et al. Nucl. Acids Res. 36, D402–D408 (2008).

    Article  CAS  PubMed  Google Scholar 

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Acknowledgements

This work was supported by National Institutes of Health grants R21 DK070297 (MRS, PI) and P41 RR02301 (J.L.M.). We are indebted to W.W. Cleland, H. Lardy and L. Anderson for access to their chemical compound collections. We thank Joe Porwall from Sigma-Aldrich for assistance in locating compounds, Zsolt Zolnai for development of the Sesame LIMS and Eldon L. Ulrich for help in coordinating MMC activities with the BMRB.

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Cui, Q., Lewis, I., Hegeman, A. et al. Metabolite identification via the Madison Metabolomics Consortium Database. Nat Biotechnol 26, 162–164 (2008). https://doi.org/10.1038/nbt0208-162

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