Metabolomics: Methods and Protocols

PART I. Metabolome analysis using gaschromatography coupled to mass spectrometry (GC/MS)

1 Metabolite profiling in blood plasma
Oliver Fiehn and Tobias Kind

2 Non-Supervised Construction and Application of Mass Spectral and Retention Time Index Libraries from Time-of-Flight GC-MS Metabolite Profiles
Alexander Erban, Nicolas Schauer, Alisdair R. Fernie, Joachim Kopka

3 Metabolomic profiling of natural volatiles: head space trapping - GC/MS
Yury M. Tikunov, Francel W.A. Verstappen & Robert D Hall
PART II. Metabolomics - Data integration and data mining

4 Integrative profiling of metabolites and proteins: improving pattern recognition and biomarker selection for systems level approaches
Katja Morgenthal, Stefanie Wienkoop, Florian Wolschin, and Wolfram Weckwerth

5 Integrating profiling data: using linear correlation to reveal co-regulation of transcript and metabolites
Ewa Urbanczyk-Wochniak, Lothar Willmitzer and Alisdair Fernie

6 Visualization and Analysis of Molecular Data
Matthias Scholz and Joachim Selbig

7 A gentle guide to the analysis of metabolomic data
Ralf Steuer, Katja Morgenthal, Wolfram Weckwerth, and Joachim Selbig

PART III. Capillary electrophoresis coupled to mass spectrometry (CE/MS)

8 CE-MS for Metabolomics
Tomoyoshi Soga

PART IV. Liquid chromatography coupled to mass spectrometry (LC/MS) for metabolomics and structural elucidation

9 Application of LC-MS analysis in Metabolomics: Reversed-Phase Monolithic Capillary Chromatography and Hydrophilic Chromatography coupled to Electrospray Ionization Mass Spectrometry
Vladimir V. Tolstikov, Oliver Fiehn, and Nobuo Tanaka

PART V. Electrochemical detection of metabolites

10 HPLC-Separations Coupled with Coulometric-Electrode Array Detectors
A Unique Approach to Metabolomics
Bruce S. Kristal, Yevgeniya I. Shurubor, Rima Kaddurah-Daouk, and Wayne R. Matson

PART VI. Metabolic Fluxes

11 Determination of metabolic flux ratios from 13C-experiments and GC MS data: protocol and principles
Annik Nanchen, Tobias Fuhrer and Uwe Sauer

12 Understanding the Roadmap of Metabolism by Pathway Analysis
Stefan Schuster, Axel von Kamp and Mikhail Pachkov

PART VII. NMR metabolome analysis

13 Revealing the metabolome of animal tissues using 1H NMR spectroscopy
Mark R. Viant

14 NMR Metabonomics - Methods for Drug Discovery and Development
Karl-Heinz Ott and Nelly Aranibar