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Preface to the Fourth Edition | |
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Acknowledgments | |
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Glossary and Abbreviations | |
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Introduction | |
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Appearance of the Mass Spectrum | |
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Formation of the Mass Spectrum | |
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Mass Analysis of Ions | |
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Ion Abundance Measurement | |
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Sample Introduction Systems | |
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Mixture Analysis | |
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Molecular Structure Information | |
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Standard Interpretation Procedure | |
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Elemental Composition | |
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Stable Isotopes; Classification According to Natural Abundance | |
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"A + 2" Elements: Oxygen, Silicon, Sulfur, Chlorine, and Bromine | |
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"A + 1" Elements: Carbon and Nitrogen | |
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"A" Elements: Hydrogen, Fluorine, Phosphorus, and Iodine | |
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Rings plus Double Bonds | |
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Compositions of All Peaks Where Possible | |
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Deducing Elemental Compositions | |
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The Molecular Ion | |
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Requirements for the Molecular Ion | |
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Odd-Electron Ions | |
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The Nitrogen Rule | |
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Relative Importance of Peaks | |
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Logical Neutral Losses | |
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Molecular Ion Abundance versus Structure | |
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Typical Mass Spectra | |
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Basic Mechanisms of Ion Fragmentation | |
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Unimolecular Ion Decompositions | |
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Basic Factors that Influence Ion Abundance | |
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Reaction Initiation at Radical or Charge Sites | |
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Reaction Classifications | |
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Sigma Bond Dissociation ([sigma]) | |
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Radical-Site Initiation ([alpha]-Cleavage) | |
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Charge-Site Initiation (Inductive Cleavage, i) | |
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Decompositions of Cyclic Structures | |
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Radical-Site Rearrangements | |
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Charge-Site Rearrangements | |
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Postulation of Molecular Structures | |
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General Appearance of the Spectrum | |
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Low Mass Ion Series | |
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Small Neutral Losses | |
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Characteristic Ions | |
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Postulating Possible Structures | |
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Assignment of the Most Probable Structure | |
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Auxiliary Techniques | |
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Soft Ionization Methods | |
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Ionization of Large Molecules | |
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Exact Mass Measurements (High Resolution) | |
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Tandem Mass Spectrometry (MS/MS) | |
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Combined Techniques | |
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The Shift Technique | |
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Chemical Derivatives | |
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Theory of Unimolecular Ion Decompositions | |
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Energy Deposition and Rate Functions | |
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Thermodynamic vs. Kinetic Effects | |
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Quasi-Equilibrium Theory | |
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Derivation of P(E) Functions | |
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Calculation of k(E) Functions | |
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Thermochemical Relationships and Potential Energy Surfaces | |
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Detailed Mechanisms and Ion Fragmentation | |
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Unimolecular Ion Decompositions | |
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Product Stability | |
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Steric Factors | |
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Reaction Initiation at Radical or Charge Sites | |
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Reaction Classifications | |
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Sigma-Bond Dissociation ([sigma]) | |
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Radical-Site Initiation ([alpha]-Cleavage) | |
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Charge-Site Initiation (Inductive Cleavage, i) | |
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Decompositions of Cyclic Structures | |
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Hydrogen Rearrangements | |
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Other Rearrangements | |
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Mass Spectra of Common Compound Classes | |
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Hydrocarbons | |
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Alcohols | |
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Aldehydes and Ketones | |
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Esters | |
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Acids, Anhydrides, and Lactones | |
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Ethers | |
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Thiols and Sulfides | |
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Amines | |
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Amides | |
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Nitrile and Nitro Compounds | |
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Aliphatic Halides | |
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Computer Identification of Unknown Mass Spectra | |
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The Database of Reference El Mass Spectra | |
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Retrieval: The Probability Based Matching System | |
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Interpretation: The Self-Training Interpretive and Retrieval System | |
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Application of PBM and STIRS | |
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Solutions to Unknowns | |
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Bibliography | |
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Appendix | |
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Table A.1 Nuclidic Masses and Isotopic Abundances | |
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Table A.2 Natural Abundances of Combinations of Chlorine, Bromine, Silicon, and Sulfur | |
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Table A.3 Ionization Energy and Proton Affinity Values | |
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Table A.4 Molecular Ion Abundances vs. Compound Type | |
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Table A.5 Common Neutral Fragments | |
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Table A.6 Common Fragment Ions | |
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Table A.7 Common Elemental Compositions of Molecular Ions | |
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Index | |