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Interpretation of Mass Spectra

ISBN-10: 0935702253

ISBN-13: 9780935702255

Edition: 4th 1993 (Revised)

Authors: Fred W. McLafferty, Frantisek Turecek, John Choi

List price: $74.00
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Book details

List price: $74.00
Edition: 4th
Copyright year: 1993
Publisher: University Science Books
Publication date: 5/1/1993
Binding: Hardcover
Pages: 371
Size: 5.75" wide x 9.50" long x 1.00" tall
Weight: 1.738

Preface to the Fourth Edition
Acknowledgments
Glossary and Abbreviations
Introduction
Appearance of the Mass Spectrum
Formation of the Mass Spectrum
Mass Analysis of Ions
Ion Abundance Measurement
Sample Introduction Systems
Mixture Analysis
Molecular Structure Information
Standard Interpretation Procedure
Elemental Composition
Stable Isotopes; Classification According to Natural Abundance
"A + 2" Elements: Oxygen, Silicon, Sulfur, Chlorine, and Bromine
"A + 1" Elements: Carbon and Nitrogen
"A" Elements: Hydrogen, Fluorine, Phosphorus, and Iodine
Rings plus Double Bonds
Compositions of All Peaks Where Possible
Deducing Elemental Compositions
The Molecular Ion
Requirements for the Molecular Ion
Odd-Electron Ions
The Nitrogen Rule
Relative Importance of Peaks
Logical Neutral Losses
Molecular Ion Abundance versus Structure
Typical Mass Spectra
Basic Mechanisms of Ion Fragmentation
Unimolecular Ion Decompositions
Basic Factors that Influence Ion Abundance
Reaction Initiation at Radical or Charge Sites
Reaction Classifications
Sigma Bond Dissociation ([sigma])
Radical-Site Initiation ([alpha]-Cleavage)
Charge-Site Initiation (Inductive Cleavage, i)
Decompositions of Cyclic Structures
Radical-Site Rearrangements
Charge-Site Rearrangements
Postulation of Molecular Structures
General Appearance of the Spectrum
Low Mass Ion Series
Small Neutral Losses
Characteristic Ions
Postulating Possible Structures
Assignment of the Most Probable Structure
Auxiliary Techniques
Soft Ionization Methods
Ionization of Large Molecules
Exact Mass Measurements (High Resolution)
Tandem Mass Spectrometry (MS/MS)
Combined Techniques
The Shift Technique
Chemical Derivatives
Theory of Unimolecular Ion Decompositions
Energy Deposition and Rate Functions
Thermodynamic vs. Kinetic Effects
Quasi-Equilibrium Theory
Derivation of P(E) Functions
Calculation of k(E) Functions
Thermochemical Relationships and Potential Energy Surfaces
Detailed Mechanisms and Ion Fragmentation
Unimolecular Ion Decompositions
Product Stability
Steric Factors
Reaction Initiation at Radical or Charge Sites
Reaction Classifications
Sigma-Bond Dissociation ([sigma])
Radical-Site Initiation ([alpha]-Cleavage)
Charge-Site Initiation (Inductive Cleavage, i)
Decompositions of Cyclic Structures
Hydrogen Rearrangements
Other Rearrangements
Mass Spectra of Common Compound Classes
Hydrocarbons
Alcohols
Aldehydes and Ketones
Esters
Acids, Anhydrides, and Lactones
Ethers
Thiols and Sulfides
Amines
Amides
Nitrile and Nitro Compounds
Aliphatic Halides
Computer Identification of Unknown Mass Spectra
The Database of Reference El Mass Spectra
Retrieval: The Probability Based Matching System
Interpretation: The Self-Training Interpretive and Retrieval System
Application of PBM and STIRS
Solutions to Unknowns
Bibliography
Appendix
Table A.1 Nuclidic Masses and Isotopic Abundances
Table A.2 Natural Abundances of Combinations of Chlorine, Bromine, Silicon, and Sulfur
Table A.3 Ionization Energy and Proton Affinity Values
Table A.4 Molecular Ion Abundances vs. Compound Type
Table A.5 Common Neutral Fragments
Table A.6 Common Fragment Ions
Table A.7 Common Elemental Compositions of Molecular Ions
Index