Assigning Structures to Ions in Mass Spectrometry  book cover
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Assigning Structures to Ions in Mass Spectrometry





ISBN 9780367577735
Published June 30, 2020 by CRC Press
466 Pages

 
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Book Description

Summarizing our present knowledge of the structures and chemistry of small organic cations in the gas phase, Assigning Structures to Ions in Mass Spectrometry presents the methods necessary for determining gas-phase ion structures. It is a comprehensive resource of background material that is essential for the interpretation and understanding of organic mass spectra.

Following a historical introduction of chief discoveries, the book 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 the computational chemistry and theoretical calculations that provide complementary thermochemical, structural, and mechanistic information. Five selected case studies illustrate specific challenges associated with ion structure assignment and thermochemical problems. The last major section of the book contains the data for describing or identifying all ions containing C alone and C with H, O, N, S, P, halogens, and small organic cations.

Presenting material written by leading researchers in the field, Assigning Structures to Ions in Mass Spectrometry underscores the importance of understanding the behavior of small organic ions and gas-phase ion chemistry for making new ion structure assignments

Table of Contents

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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Author(s)

Biography

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

Reviews

"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