Interpretation of Mass Spectra of Organic Compounds - 1st Edition - ISBN: 9780123221506, 9780323143141

Interpretation of Mass Spectra of Organic Compounds

1st Edition

Editors: Mynard Hamming
eBook ISBN: 9780323143141
Imprint: Academic Press
Published Date: 1st January 1972
Page Count: 708
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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



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


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© Academic Press 1972
Academic Press
eBook ISBN:

About the Editor

Mynard Hamming

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