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.

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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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Supplementary Text and Figures

Supplementary Fig. 1, Tables 1,2, Methods, Tutorial (PDF 915 kb)

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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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