Assigning Structures to Ions in Mass Spectrometry describes the tools currently available for determining gas-phase ion structures. It surveys current experimental methods for ion production and separation as well as those designed to reveal qualitative and quantitative aspects of gas-phase ions. It also examines how and when to apply computational
Assigning Structures to Ions in Mass Spectrometry describes the tools currently available for determining gas-phase ion structures. It surveys current experimental methods for ion production and separation as well as those designed to reveal qualitative and quantitative aspects of gas-phase ions. It also examines how and when to apply computational
PART I: THEORY AND METHODS Tools for Identifying the Structure of Gas-Phase Ions Introduction How Ions Are Generated and Separated for Analysis Thermochemistry-Its Role in Assigning Ion Structures Experiments with Mass-Selected Ions Reactivity of Ions; Another Tool for Ion Structure Determination Use of Computational Chemistry in Ion Structure Determination What and What Not to Expect from Gas-Phase Ions Introduction Identification of a New Class of Ions: Distonic Ions The McLafferty Rearrangement: A Concerted or Stepwise Process? Peptide Ion Fragmentation: The Structure of b-Type Ions The Need for Computational Chemistry: The Methylacetate Ion Story A Problem with Neutral Thermochemistry: DfH(CH3CH2OOH) Revisited Some Advice When Assigning Structures to Gas-Phase Ions References to Part 1 PART II: IONS CONTAINING C AND POLYATOMIC IONS CONTAINING ONE TO THREE C ATOMS Ion Structures Introduction Thermochemical Data Ions Containing Only Carbon Atoms Isomers/Identification References Ions Containing One Carbon Atom References Ions Containing Three Carbon Atoms Index of C1 to C3 Ion Formulae Index
PART I: THEORY AND METHODS Tools for Identifying the Structure of Gas-Phase Ions Introduction How Ions Are Generated and Separated for Analysis Thermochemistry-Its Role in Assigning Ion Structures Experiments with Mass-Selected Ions Reactivity of Ions; Another Tool for Ion Structure Determination Use of Computational Chemistry in Ion Structure Determination What and What Not to Expect from Gas-Phase Ions Introduction Identification of a New Class of Ions: Distonic Ions The McLafferty Rearrangement: A Concerted or Stepwise Process? Peptide Ion Fragmentation: The Structure of b-Type Ions The Need for Computational Chemistry: The Methylacetate Ion Story A Problem with Neutral Thermochemistry: DfH(CH3CH2OOH) Revisited Some Advice When Assigning Structures to Gas-Phase Ions References to Part 1 PART II: IONS CONTAINING C AND POLYATOMIC IONS CONTAINING ONE TO THREE C ATOMS Ion Structures Introduction Thermochemical Data Ions Containing Only Carbon Atoms Isomers/Identification References Ions Containing One Carbon Atom References Ions Containing Three Carbon Atoms Index of C1 to C3 Ion Formulae Index
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