Understanding Mass Spectra: A Basic Approach, Second Edition combines coverage of the principles underlying mass spectral analysis with clear guidelines on how to apply them in a laboratory setting. Completely revised from the first edition, an updated and unified approach to mass spectral interpretation emphasizes the application of basic principles from undergraduate organic, analytical, and physical chemistry courses. A detailed overview of theory and instrumentation, this useful guide contains step-by-step descriptions of interpretative strategies and convenient lists and tables detailing…mehr
Understanding Mass Spectra: A Basic Approach, Second Edition combines coverage of the principles underlying mass spectral analysis with clear guidelines on how to apply them in a laboratory setting. Completely revised from the first edition, an updated and unified approach to mass spectral interpretation emphasizes the application of basic principles from undergraduate organic, analytical, and physical chemistry courses. A detailed overview of theory and instrumentation, this useful guide contains step-by-step descriptions of interpretative strategies and convenient lists and tables detailing the information needed to solve unknowns. Other features include real-world case studies and examples, skill-building problems with clearly explained answers, and easy-to-follow explanations of the important mathematical derivations.
R. MARTIN SMITH is a former forensic chemist and quality assurance coordinator at the Wisconsin Department of Justice Crime Laboratories in Madison, Wisconsin. He received his PhD in organic chemistry from the University of Wisconsin-Madison, and has numerous publications dealing with the application of mass spectrometry to forensic science.
Preface to the Second Edition.Acknowledgments.Abbreviations and Notations Used in This Book.1. Instrumentation.1.1. Introduction.1.2. Ionization Source.1.3. m/z Analysis.1.4. Ion Detection.1.5. Data System.1.6. Criteria for Good-Quality Spectra.Additional Problems.Mass Spectrometric Resources on the Internet.References and Suggested Reading.2. Elemental Composition from Peak Intensities.2.1. Natural Isotopic Abundances.2.2. Determining Elemental Composition from Isotope Peak Intensities.2.3. Obtaining Elemental Compositions from Isotope Peak Intensities.Examples.Additional Problems.References.3. Ionization, Fragmentation, and Electron Accounting.3.1. A Brief Review of Orbitals and Bonding.3.2. Even- and Odd-Electron Species.3.3. Site of Initial Ionization.3.4. Types of Fragmentation.3.5. The Nitrogen Rule.3.6. Energy Considerations in Fragmentation Processes.Additional Examples.Problems.References.4. Neutral Losses and Ion Series.4.1. Neutral Losses.4.2. Low-Mass Ion Series.Additional Problems.References.5. A Rational Approach to Mass Spectral Problem Solving.5.1. Guidelines for Solving Mass Spectral Problems.Examples.Problems.Reference.6. a-Cleavage and Related Fragmentations.6.1. Introduction.6.2. Benzylic Cleavage.6.3. Cleavage Next to Aliphatic Nitrogen.6.4. Cleavages of Aliphatic Oxygenated Compounds.6.5. Elimination Fragmentations in Oxygen and Nitrogen Compounds .Examples.Additional Problems.References.7. Important Mass Spectral Rearrangements.7.1. Introduction.7.2. ³-Hydrogen Rearrangement.7.3. Cyclohexanone-Type Rearrangement.7.4. Retro Diels-Alder Fragmentation.7.5. Double-Hydrogen (McLafferty ? 1) Rearrangement.Additional Problems.References.8. Rationalizing Mass Spectral Fragmentations.8.1. General Guidelines.8.2. Loss of Small Molecules.8.3. Ephedrine.8.4. Ortho Effect: The Hydroxybenzoic Acids.Additional Problems.References.9. Structure Determination in Complex Molecules Using Mass Spectrometry.9.1. Introduction.9.2. ''Designer Drugs'' Related to MDA.9.3. Cocaine and Its Metabolites.9.4. Phencyclidine and Its Analogs.9.5. A Practical Problem.References.10. Answers to Problems.Index.
"...the author manages to go well beyond the obvious and expected explanations...[to provide] a set of guidelines to follow for successful spectral interpretation." ( Journal of Chemical Education , May 2005) "Smith does an excellent job of taking readers through a myriad of basic concepts and tying them all together to develop useful skills for spectral interpretation." ( CHOICE , February 2005)
"This book would do well to serve as a basis for an upper level undergraduate or graduate course..." ( Journal of Natural Products , February 2005)
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