John L. Holmes, Christiane Aubry, Paul M. Mayer

"There is no comparable combination of an in-depth discussion and a comprehensive compendium of thermochemical data of organic ions. … warmly recommended to all scientists who are interested and/or work in fields connected with mass spectrometry. … warmly recommended to all scientists who are interested and/or work in fields connected with mass spectrometry. … I recommend it for all who look at mass-spectral peaks— whatever m/z—with curiosity!"— Anal Bioanal Chem (2008) 390:429–431

• PART I: THEORY AND METHODSTools for Identifying the Structure of Gas-Phase IonsIntroductionHow Ions Are Generated and Separated for AnalysisThermochemistry-Its Role in Assigning Ion StructuresExperiments with Mass-Selected IonsReactivity of Ions; Another Tool for Ion Structure DeterminationUse of Computational Chemistry in Ion Structure DeterminationWhat and What Not to Expect from Gas-Phase IonsIntroductionIdentification of a New Class of Ions: Distonic IonsThe McLafferty Rearrangement: A Concerted or Stepwise Process?Peptide Ion Fragmentation: The Structure of b-Type IonsThe Need for Computational Chemistry: The Methylacetate Ion StoryA Problem with Neutral Thermochemistry: DfH(CH3CH2OOH) RevisitedSome Advice When Assigning Structures to Gas-Phase IonsReferences to Part 1PART II: IONS CONTAINING C AND POLYATOMIC IONS CONTAINING ONE TO THREE C ATOMSIon StructuresIntroductionThermochemical DataIons Containing Only Carbon AtomsIsomers/IdentificationReferencesIons Containing One Carbon AtomReferencesIons Containing Three Carbon AtomsIndex of C1 to C3 Ion FormulaeIndex

John L. Holmes, Christiane Aubry, Paul M. Mayer

"There is no comparable combination of an in-depth discussion and a comprehensive compendium of thermochemical data of organic ions. … warmly recommended to all scientists who are interested and/or work in fields connected with mass spectrometry. … warmly recommended to all scientists who are interested and/or work in fields connected with mass spectrometry. … I recommend it for all who look at mass-spectral peaks— whatever m/z—with curiosity!"— Anal Bioanal Chem (2008) 390:429–431

• PART I: THEORY AND METHODSTools for Identifying the Structure of Gas-Phase IonsIntroductionHow Ions Are Generated and Separated for AnalysisThermochemistry-Its Role in Assigning Ion StructuresExperiments with Mass-Selected IonsReactivity of Ions; Another Tool for Ion Structure DeterminationUse of Computational Chemistry in Ion Structure DeterminationWhat and What Not to Expect from Gas-Phase IonsIntroductionIdentification of a New Class of Ions: Distonic IonsThe McLafferty Rearrangement: A Concerted or Stepwise Process?Peptide Ion Fragmentation: The Structure of b-Type IonsThe Need for Computational Chemistry: The Methylacetate Ion StoryA Problem with Neutral Thermochemistry: DfH(CH3CH2OOH) RevisitedSome Advice When Assigning Structures to Gas-Phase IonsReferences to Part 1PART II: IONS CONTAINING C AND POLYATOMIC IONS CONTAINING ONE TO THREE C ATOMSIon StructuresIntroductionThermochemical DataIons Containing Only Carbon AtomsIsomers/IdentificationReferencesIons Containing One Carbon AtomReferencesIons Containing Three Carbon AtomsIndex of C1 to C3 Ion FormulaeIndex

John L. Holmes, Christiane Aubry, Paul M. Mayer

"There is no comparable combination of an in-depth discussion and a comprehensive compendium of thermochemical data of organic ions. … warmly recommended to all scientists who are interested and/or work in fields connected with mass spectrometry. … warmly recommended to all scientists who are interested and/or work in fields connected with mass spectrometry. … I recommend it for all who look at mass-spectral peaks— whatever m/z—with curiosity!"— Anal Bioanal Chem (2008) 390:429–431

• PART I: THEORY AND METHODSTools for Identifying the Structure of Gas-Phase IonsIntroductionHow Ions Are Generated and Separated for AnalysisThermochemistry-Its Role in Assigning Ion StructuresExperiments with Mass-Selected IonsReactivity of Ions; Another Tool for Ion Structure DeterminationUse of Computational Chemistry in Ion Structure DeterminationWhat and What Not to Expect from Gas-Phase IonsIntroductionIdentification of a New Class of Ions: Distonic IonsThe McLafferty Rearrangement: A Concerted or Stepwise Process?Peptide Ion Fragmentation: The Structure of b-Type IonsThe Need for Computational Chemistry: The Methylacetate Ion StoryA Problem with Neutral Thermochemistry: DfH(CH3CH2OOH) RevisitedSome Advice When Assigning Structures to Gas-Phase IonsReferences to Part 1PART II: IONS CONTAINING C AND POLYATOMIC IONS CONTAINING ONE TO THREE C ATOMSIon StructuresIntroductionThermochemical DataIons Containing Only Carbon AtomsIsomers/IdentificationReferencesIons Containing One Carbon AtomReferencesIons Containing Three Carbon AtomsIndex of C1 to C3 Ion FormulaeIndex