Mass Spectrometry of Natural Substances in

Introducing the principles, practice and applications of mass spectrometric techniques in the study of natural substances in foods, this book conveys the depth and breadth of modern mass spectrometry in relation to food analysis. It covers traditional techniques such as electron and chemical ionisation and newer soft ionisation techniques such as matrix-assisted laser desorption ionisation and electrospray. All of these techniques are especially relevant in food quality and safety studies and in biopolymer analysis. The ability to analyse biopolymers by mass spectrometry is having a major impact on the study of food structure components, food proteins, food pathogens and food components produced from genetically modified organisms. The principles and practice of mass spectrometry are covered in the early chapters and are followed by applications in flavour analysis and the determination of non-nutrient, biologically-active, natural substances in foods. The analysis and metabolic studies of amino acids, peptides, proteins, lipids, sugars, carbohydrates and vitamins is also discussed, with separate chapters on mineral and micronutrient metabolism and techniques of pyrolysis mass spectrometry. Mass Spectrometry of Natural Substances in Food will be a valuable resource for food scientists, food analysts and others working in food research, nutrition and safety.

Introduction to Principles and Practice of Mass Spectrometry	p. 1
History of Mass Spectrometry	p. 1
Ionisation of Molecules	p. 3
Ion Separation	p. 18
Ion Detection	p. 22
Metastable Ions, Collision Induced Dissociation and Tandem Mass Spectrometry	p. 23
Scanning Modes	p. 29
References	p. 32
Interpretation of Organic Mass Spectrometric Data	p. 33
Introduction	p. 33
Formation of the Electron Ionisation Mass Spectrum	p. 34
Calibration of the Mass Scale and Determination of Molecular Mass	p. 37
Interpretation of High- and Low-resolution Data	p. 39
An Empirical Approach to the Elucidation of Organic Structures	p. 40
Additional Information from the Mass Spectrum	p. 44
Classical Fragmentation Processes Occurring in EIMS	p. 46
Some Useful Examples of Features of the Mass Spectrum by Chemical Class	p. 52
References	p. 54
Food Flavourings and Taints	p. 55
Introduction	p. 55
Flavour Analyses	p. 63
Taints and Off-flavours	p. 76
Flavour Chemistry	p. 77
Aroma Release From Foods	p. 81
Breath and Body Odours	p. 85
Authentication of Natural and Synthetic Food Components	p. 85
Data Processing and Statistical Analysis	p. 86
References	p. 87
Bioactive Non-nutrients in Foods	p. 93
Introduction	p. 93
Alkaloids	p. 94
Coumarins	p. 105
Cyanogenic Compounds	p. 107
Glucosinolates	p. 109
Mutagenic Heterocyclic Amines Generated by Cooking	p. 114
Mycotoxins	p. 117
Phytoalexins	p. 134
Phenolic Compounds	p. 134
Saponins	p. 153
References	p. 157
Amino Acids, Peptides and Proteins	p. 170
Introduction	p. 170
Chemical and Enzymatic Studies	p. 174
Applications of Mass Spectrometry to Amino Acid, Peptide and Protein Analysis in Food, Nutrition and Agricultural Research	p. 175
The Amino Acid Sequencing of Peptides and Proteins	p. 179
References	p. 187
Lipids	p. 192
Introduction	p. 192
Derived Lipids	p. 193
Simple Lipids	p. 196
Compounds Lipids	p. 203
Lipid Oxidation Products	p. 208
References	p. 210
Sugars and Carbohydrates	p. 213
Introduction	p. 213
Analysis of Sugar Residues: GC/MS of Derivatised Sugars	p. 215
Partially Methylated Alditol Acetate (PMAA) Analysis of Linkage and Sugar Type	p. 216
Recent Methods for the Determination of Molecular Size	p. 217
The Separation of Oligosaccharides by LC/MS	p. 220
Sequence Determination of Oligosaccharides	p. 220
References	p. 223
Quantification and Metabolism of Inorganic Nutrients	p. 225
Introduction	p. 225
Sample Collection and Treatment for Inorganic Mass Spectrometry	p. 226
Quantitative Applications of TIMS	p. 227
Quantitative Applications of ICP-MS	p. 228
Metabolic Studies of Inorganic Nutrients	p. 228
Sample Preparation for Inorganic Mass Spectrometry	p. 230
Mass Spectrometric Techniques for Inorganic Nutrient Studies	p. 231
References	p. 242
Analysis and Metabolism of Vitamins in Foods	p. 244
Introduction	p. 244
Water-soluble Vitamins	p. 245
Fat-soluble Vitamins	p. 258
General Conclusions and Recommendations	p. 268
References	p. 268
Stable Isotope Studies of Organic Macronutrient Metabolism	p. 273
Introduction	p. 273
Mass Spectrometric Techniques Used in Macronutrient Metabolism Studies	p. 273
Protein Metabolism	p. 273
Carbohydrate Metabolism	p. 275
Lipid Metabolism	p. 278
Whole Body Energy Expenditure	p. 279
General Conclusions and Recommended Methods	p. 280
References	p. 281
Pyrolysis Mass Spectrometry of Foods	p. 283
Introduction	p. 283
Practical Aspects of Py/MS	p. 284
Mass Spectrometric Techniques for Analytical Pyrolysis	p. 284
Analysis of Data	p. 285
Selected Applications of Py/MS in Food Studies	p. 285
Conclusions	p. 288
References	p. 290
Subject Index	p. 291
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Mass Spectrometry of Natural Substances in Food

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