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Interpretation of Mass Spectra, fourth edition - Fred W. McLafferty

Interpretation of Mass Spectra, fourth edition

Hardcover Published: 1st January 1993
ISBN: 9780935702255
Number Of Pages: 371

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Extensively revised and updated, this new edition, as in previous editions, emphasizes the point that the most important part of learning how to interpret unknown mass spectra is to practice interpreting mass spectra. The book aims at correlating ion dissociation mecanisms on a much broader scale, with the emphasis on basic attributes such as ionization energies, proton affinities and bond dissociation energies. The authors also tried to show how these mechanisms are applicable to the unimolecular dissociations of ions formed by any ionization method, including the new methods for obtaining mass spectra of large molecules.

Preface to the Fourth Edition
Glossary and Abbreviations
Introductionp. 1
Appearance of the Mass Spectrump. 1
Formation of the Mass Spectrump. 4
Mass Analysis of Ionsp. 7
Ion Abundance Measurementp. 11
Sample Introduction Systemsp. 11
Mixture Analysisp. 12
Molecular Structure Informationp. 12
Standard Interpretation Procedurep. 13
Elemental Compositionp. 19
Stable Isotopes; Classification According to Natural Abundancep. 19
"A + 2" Elements: Oxygen, Silicon, Sulfur, Chlorine, and Brominep. 20
"A + 1" Elements: Carbon and Nitrogenp. 23
"A" Elements: Hydrogen, Fluorine, Phosphorus, and Iodinep. 25
Rings plus Double Bondsp. 27
Compositions of All Peaks Where Possiblep. 30
Deducing Elemental Compositionsp. 33
The Molecular Ionp. 35
Requirements for the Molecular Ionp. 36
Odd-Electron Ionsp. 36
The Nitrogen Rulep. 37
Relative Importance of Peaksp. 38
Logical Neutral Lossesp. 39
Molecular Ion Abundance versus Structurep. 41
Typical Mass Spectrap. 41
Basic Mechanisms of Ion Fragmentationp. 51
Unimolecular Ion Decompositionsp. 52
Basic Factors that Influence Ion Abundancep. 52
Reaction Initiation at Radical or Charge Sitesp. 54
Reaction Classificationsp. 54
Sigma Bond Dissociation ([sigma])p. 56
Radical-Site Initiation ([alpha]-Cleavage)p. 57
Charge-Site Initiation (Inductive Cleavage, i)p. 64
Decompositions of Cyclic Structuresp. 68
Radical-Site Rearrangementsp. 72
Charge-Site Rearrangementsp. 78
Postulation of Molecular Structuresp. 85
General Appearance of the Spectrump. 85
Low Mass Ion Seriesp. 91
Small Neutral Lossesp. 97
Characteristic Ionsp. 99
Postulating Possible Structuresp. 100
Assignment of the Most Probable Structurep. 101
Auxiliary Techniquesp. 103
Soft Ionization Methodsp. 103
Ionization of Large Moleculesp. 105
Exact Mass Measurements (High Resolution)p. 109
Tandem Mass Spectrometry (MS/MS)p. 109
Combined Techniquesp. 112
The Shift Techniquep. 112
Chemical Derivativesp. 114
Theory of Unimolecular Ion Decompositionsp. 115
Energy Deposition and Rate Functionsp. 115
Thermodynamic vs. Kinetic Effectsp. 117
Quasi-Equilibrium Theoryp. 118
Derivation of P(E) Functionsp. 120
Calculation of k(E) Functionsp. 125
Thermochemical Relationships and Potential Energy Surfacesp. 127
Detailed Mechanisms and Ion Fragmentationp. 135
Unimolecular Ion Decompositionsp. 135
Product Stabilityp. 138
Steric Factorsp. 151
Reaction Initiation at Radical or Charge Sitesp. 160
Reaction Classificationsp. 165
Sigma-Bond Dissociation ([sigma])p. 169
Radical-Site Initiation ([alpha]-Cleavage)p. 171
Charge-Site Initiation (Inductive Cleavage, i)p. 173
Decompositions of Cyclic Structuresp. 179
Hydrogen Rearrangementsp. 191
Other Rearrangementsp. 213
Mass Spectra of Common Compound Classesp. 225
Hydrocarbonsp. 226
Alcoholsp. 240
Aldehydes and Ketonesp. 246
Estersp. 251
Acids, Anhydrides, and Lactonesp. 258
Ethersp. 260
Thiols and Sulfidesp. 265
Aminesp. 270
Amidesp. 274
Nitrile and Nitro Compoundsp. 276
Aliphatic Halidesp. 278
Computer Identification of Unknown Mass Spectrap. 283
The Database of Reference El Mass Spectrap. 284
Retrieval: The Probability Based Matching Systemp. 284
Interpretation: The Self-Training Interpretive and Retrieval Systemp. 287
Application of PBM and STIRSp. 290
Solutions to Unknownsp. 293
Bibliographyp. 321
Appendixp. 339
Table A.1 Nuclidic Masses and Isotopic Abundancesp. 339
Table A.2 Natural Abundances of Combinations of Chlorine, Bromine, Silicon, and Sulfurp. 340
Table A.3 Ionization Energy and Proton Affinity Valuesp. 343
Table A.4 Molecular Ion Abundances vs. Compound Typep. 346
Table A.5 Common Neutral Fragmentsp. 348
Table A.6 Common Fragment Ionsp. 351
Table A.7 Common Elemental Compositions of Molecular Ionsp. 355
Indexp. 361
Table of Contents provided by Blackwell. All Rights Reserved.

ISBN: 9780935702255
ISBN-10: 0935702253
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 371
Published: 1st January 1993
Country of Publication: US
Dimensions (cm): 24.44 x 15.9  x 2.39
Weight (kg): 0.7
Edition Number: 4
Edition Type: Revised

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