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Novel NMR and MS Approaches to Metabolomics

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The Handbook of Metabolomics

Part of the book series: Methods in Pharmacology and Toxicology ((MIPT))

Abstract

Identifying and quantifying metabolites in complex biological samples is one of the most challenging aspects of metabolomics. Recently, several important advances in databases, software, instrumentation, and laboratory techniques have greatly simplified the most laborious tasks of metabolite identification and have made quantification more reliable. These technological advances have made bioanalytically oriented studies a feasible alternative to the statistics-based methods commonly used for metabolomics. We discuss the tools that have become most important in our own research and comment on emerging technologies that may play an important role in future studies. In addition, we provide practical guidelines for designing studies and give the step-by-step protocols used in our lab for sample preparation, metabolite identification, and accurate quantification of molecules.

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Acknowledgments

This work was supported by the National Center for Research Resources of the National Institutes of Health under grant P41 RR02301; I.A.L. was the recipient of a fellowship from the NHGRI 1T32HG002760.

Author information

Authors and Affiliations

  1. Department of Biochemistry, University of Wisconsin-Madison, Madison, WI, USA

    Ian A. Lewis & John L. Markley

  2. Department of Chemistry, University of Wisconsin-Madison, Madison, WI, USA

    Michael R. Shortreed

  3. Department of Horticultural Science, University of Minnesota, St. Paul, MN, USA

    Adrian D. Hegeman

Authors
  1. Ian A. Lewis
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  2. Michael R. Shortreed
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  3. Adrian D. Hegeman
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  4. John L. Markley
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Corresponding author

Correspondence to John L. Markley .

Editor information

Editors and Affiliations

  1. Department of Chemistry, University of Louisville, Louisville, Kentucky, USA

    Teresa Whei-Mei Fan

  2. Structural Biology Program, University of Louisville, Louisville, Kentucky, USA

    Andrew N. Lane

  3. Department of Chemistry, University of Louisville, Louisville, Kentucky, USA

    Richard M. Higashi

Glossary

1D

One-dimensional

2D

Two-dimensional

Bioanalytical metabolomics

Comprehensive quantitative analysis of metabolites in complex biological samples

HSQC

Heteronuclear single quantum correlation

MS

Mass spectrometry

NMR

Nuclear magnetic resonance

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Lewis, I.A., Shortreed, M.R., Hegeman, A.D., Markley, J.L. (2012). Novel NMR and MS Approaches to Metabolomics. In: Fan, TM., Lane, A., Higashi, R. (eds) The Handbook of Metabolomics. Methods in Pharmacology and Toxicology. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-61779-618-0_7

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  • DOI: https://doi.org/10.1007/978-1-61779-618-0_7

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  • Publisher Name: Humana Press, Totowa, NJ

  • Print ISBN: 978-1-61779-617-3

  • Online ISBN: 978-1-61779-618-0

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