Preface ....................................................... vii
Contributors ................................................. xiii
Part I Historical and Methodology Overview
1 Overview of Mass Spectrometry-Based Metabolomics:
Opportunities and Challenges ................................. 3
G.A. Nagano, Gowda and Danijel Djukovic
Part II Global LC-MS Based Metabolic Profiling
2 Global Metabolic Profiling Using Ultra-Performance liquid
Chromatography/Quadrupole Time-of-Flight Mass Spectrometry .. 15
Yunpeng Qi, Yunlong Song, Haiwei Gu, Guorong Fan,
and Yifeng Chai
3 LC-MS Profiling to Link Metabolic and Phenotypic Diversity
in Plant Mapping Populations ................................ 29
Camilla B. Hill, Antony Bacic, and Ute Roessner
4 Mitochondrial Metabolomics Using High-Resolution
Fourier-Transform Mass Spectrometry ......................... 43
Young-Mi Go, Karan Uppal, Douglas I. Walker, ViLinh Tran,
Lauriane Dury, Frederick H. Strobel, Hél&eagrave;ne Baubichon-
Cortay, Kurt D. Pennell, James R. Roede, and Dean P. Jones
5 Sample Preparation Methods for LC-MS-Based Global Aqueous
Metabolite Profiling ........................................ 75
Antoni Beltran, Sara Samino, and Oscar Yanes
Part III. Global GC MS and CE-MS Based Metabolic Profiling
6 Methods of Discovery-Based and Targeted Metabolite Analysis
by Comprehensive Two-Dimensional Gas Chromatography
with Time-of-Flight Mass Spectrometry Detection ............. 83
Luke C. Marney, Jamin C. Hoggard, Kristen J. Skogerboe,
and Robert E. Synovec
7 Analysis of Mouse Liver Metabolites by GC × GC-TOF MS ....... 99
Xue Shi, Xinmin Yin, and Xiang Zhang
8 Metabolite Fingerprinting by Capillary Electrophoresis-
Mass Spectrometry .......................................... 107
Antonia Garcia, Shama Naz, and Coral Barbas
Part IV Isotope Labeling Methods
9 Quantitative Metabolomic Profiling Using Dansylation
Isotope Labeling and Liquid Chromatography Mass
Spectrometry ............................................... 127
Ruokun Zhou and Liang Li
10 Quantitative Analysis of Amino and Organic Acids
by Methyl Chloroformate Derivatization and GC-MS/MS
Analysis ................................................... 137
Hans Fredrik Nyvold Kvitvang, Kare A. Kristiansen, Stina
K. Lien, and Per Bruheim
11 Stable Isotope-Labeled Tracers for Metabolic Pathway
Elucidation by GC-MS and FT-MS ............................. 147
Richard M. Higashi, Teresa W.-M. Fan, Pawel
K. Lorkiewicz, Hunter N.B. Moseley, and Andrew N. Lane
Part V Targeted Aqueous Metabolite Profiling
12 Multiplexed, Quantitative, and Targeted Metabolite
Profiling by LC-MS/MRM ..................................... 171
Ru Wei, Guodong Li, and Albert B. Seymour
Part VI Lipid and Bile Acid Profiling Methods
13 Multidimensional Mass Spectrometry-Based Shotgun
Lipidomics ................................................. 203
Miao Wang and Xianlin Han
14 Comprehensive Quantitative Determination of PUFA-Related
Bioactive Lipids for Functional Lipidomics Using High-
Resolution Mass Spectrometry ............................... 221
Mojgan Masoodi and Dietrich A. Volmer
15 Ultra-Performance Liquid Chromatography-Mass Spectrometry
Targeted Profiling of Bile Acids: Application to Serum,
Liver Tissue, and Cultured Cells of Different Species ...... 233
Juan Carlos García-Cañaveras, María Teresa Donate, and
Agustín Lahoz
Part VII Profiling Volatile Organic Compounds
16 Analysis of Volatile Organic Compounds in Exhaled Breath
by Gas Chromatography-Mass Spectrometry Combined with
Chemometric Analysis ....................................... 251
Jan W. Dallinga, Agnieszka Smolinska, and Frederik-Jan van
Schooten
17 Headspace SPME-GC-MS Metabolomics Analysis of Urinary
Volatile Organic Compounds (VOCs) .......................... 265
Shucha Zhang and Daniel Raftery
Part VIII Profiling and Imaging Using Atomospheric Sampling
Methods
18 Metabolite Profiling by Direct Analysis in Real-Time Mass
Spectrometry .............................................. 275
Christina M. Jones, María Eugenia Monge, and Facundo
M. Fernández
19 Analysis of Dried Blood Spots Using DESI Mass
Spectrometry ............................................... 291
Justin M. Wiseman and Joseph H. Kennedy
20 DESI-MS Imaging of Lipids and Metabolites from Biological
Samples .................................................... 299
Livia S. Eberlin
21 Metabolic Imaging Using NanostructureTnitiator Mass
Spectrometry (NIMS) ........................................ 313
Katherine B. Louie and Trent R. Northen
Part IX Statistical Analysis Methods
22 Statistical Analysis and Modeling of Mass Spectrometry-
Based Metabolomics Data .................................... 333
Bowei Xi, Haiwei Gu, Hamid Baniasadi, and Daniel Raftery
Index ......................................................... 355
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