Interpretation of Mass Spectra of Organic Compounds

Interpretation of Mass Spectra of Organic Compounds

1st Edition - January 1, 1972

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  • Editor: Mynard Hamming
  • eBook ISBN: 9780323143141

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Interpretation of Mass Spectra of Organic Compounds outlines the basic instrumentation, sample handling techniques, and procedures used in the interpretation of mass spectra of organic compounds. The fundamental concepts of ionization, fragmentation, and rearrangement of ions as found in mass spectra are covered in some detail, along with the rectangular array and interpretation maps. Computerization of mass spectral data is also discussed. This book consists of nine chapters and begins with a historical overview of mass spectrometry and a discussion on some important developments in the field, along with a summary of interpretation objectives and methods. The following chapters focus on instruments, ion sources, and detectors; recording of the mass spectrum and the instrumental and sample variables affecting the mass spectrum; sample introduction systems; and fragmentation reactions. Correlations as applied to interpretations are also considered, with emphasis on applications of the branching rule as well as beta-bond and alpha-bond cleavages. Example interpretations, calculations, data-processing procedures, and computer programs are included. This monograph is intended for organic chemists, biochemists, mass spectroscopists, technicians, managers, and others concerned with the whys and wherefores of mass spectrometry.

Table of Contents

  • Preface


    Chapter 1 Introduction

    I. Scope and Definition

    II. Historical Developments

    III. "New Frontier" Developments

    IV. Selection of Instrumentation

    V. A Summary of Interpretation Objectives and Methods


    Chapter 2 A Summary of Instrumentation

    I. Introduction

    II. Ion Sources

    III. Ion Beam Separation Methods—A Means of Categorizing Instruments

    IV. Ion Detection Methods


    Chapter 3 The Mass Spectrum

    I. Definitions

    II. Recording the Mass Spectrum

    III. Instrumental Variables Affecting the Mass Spectrum

    IV. Sample Variables Affecting the Mass Spectrum

    V. Types of Ions Observed

    VI. Presentation of Mass Spectral Data for Interpretation

    VII. Catalogs of Mass Spectral Data


    Chapter 4 The Sample—Its Character and Handling

    I. Applicability of Mass Spectrometry to a Wide Range of Sample Types

    II. Types of Inlet Systems

    III. Techniques of Sample Introduction

    IV. Separation Techniques

    V. Misinterpretation Associated with the Sample

    VI. Combination of the Mass Spectrometer with Other Identification Techniques


    Chapter 5 Fragmentation Reactions—Key to Interpretation of Mass Spectra

    I. The Ionization Process

    II. Theory of Mass Spectra

    III. Energetics of Electron Impact Processes

    IV. General Principles of Fragmentation

    V. Obtaining Supporting Evidence for Fragmentation Mechanisms

    VI. Predicting Fragmentation Mechanisms


    Chapter 6 Proceeding with an Interpretation

    I. Analytical Objectives

    II. Miscellaneous Objectives

    III. Assembling Information about a Sample

    IV. Preinterpretation of Raw Data

    V. The Molecular Ion as a Starting Point

    VI. Deriving Qualitative Information

    VII. Analysis of Mixtures


    Chapter 7 The Rectangular Array and Interpretation Maps

    I. Introduction

    II. Columner Grouping of Characteristic Peaks

    III. Interpretation Maps of Hydrocarbons

    IV. Detection of Functional Groups

    V. Ion Composition Maps

    VI. Some Additional Benefits of the Array


    Chapter 8 Computerizing Mass Spectral Data

    I. Introduction

    II. Objectives of Computerizing

    III. Processing Batched Data

    IV. Computer Identifications by Direct Comparison

    V. Computer Identifications without a Reference Library


    Chapter 9 Correlations Applied to Interpretations

    I. Introduction

    II. Applications of the Branching Rule

    III. Applications of Beta-Bond Cleavages

    IV. Alpha-Bond Cleavage

    V. Cyclic Transitions or Rearrangements Useful in Identifications

    VI. Fragmentation Behavior in Polyfunctional Compounds


    General Bibliography and Comprehensive References

    Appendixes I-V

    Appendix I Structure-Correlation References for Some Organic and Related Compounds

    Organization of the Index

    Appendix II Interpretation Maps

    Appendix III Current Catalogs and Compilations of Mass Spectral Data

    Appendix IV Tables of Isotopic Abundances

    Appendix V Computer Program

    Author Index

    Subject Index

Product details

  • No. of pages: 708
  • Language: English
  • Copyright: © Academic Press 1972
  • Published: January 1, 1972
  • Imprint: Academic Press
  • eBook ISBN: 9780323143141

About the Editor

Mynard Hamming

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