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Interpretation of mass spectra / F.W. McLafferty, František Tureček.


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McLafferty, Fred W.
Publication date:
4th ed. - Mill Valley, Calif. : University Science Books, c1993.
  • Book
  • xviii, 371 p. : ill. ; 24 cm.
Includes bibliographical references (p. 321-338) and index.
  • 1 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-- General References-- 2 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-- Exercises-- Compositions of All Peaks Where Possible-- Deducing Elemental Compositions-- 3 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-- 4 Basic Mechanisms of Ion Fragmentation: Unimolecuiar Ion Decompositions-- Basic Factors that Influence Ion Abundance-- Reaction Initiation at Radical or Charge Sites-- Reaction Classifications do-- Sigma Bond Dissociation-- Radical-Site Initiation (alpha-Cleavage)-- Charge-Site Initiation (inductive Cleavage, i)-- Decompositions of Cyclic Structures-- Radical-Site Rearrangements-- Charge-Site Rearrangements-- Summary of Types of Reaction Mechanisms-- 5 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-- 6 Auxiliary Techniques-- Soft Ionization Methods-- Ionization ot Large Molecules-- Exact Mass Measurements (High Resolution)-- Tandem Mass Spectrometry (MS/MS)-- Combined Techniques-- The Shift Technique-- Chemical Derivatives-- General References-- 7 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-- Examples-- General References-- 8 Detailed Mechanisms and Ion Fragmentation: Unimolecular Ion Decompositions-- Product Stability-- Steric Factors-- Reaction initiation at Radical or Charge Sites-- Reaction Classifications-- Sigma-Bond Dissociation (gamma)-- Radical-Site Initiation (alpha-Cleavage)-- Charge-Site Initiation (inductive Cleavage)-- Decompositions ot Cyclic Structures-- Hydrogen Rearrangements-- Other Rearrangements-- General References-- 9 Mass Spectra of Common Compound Classes: Hydrocarbons-- Alcohols-- Aldehydes and Ketones-- Esters-- Acids, Anhydrides, and Lactones-- Ethers-- Thiols and Sulphides-- Amines-- Amides-- Nitrile and Nitro Compounds-- Aliphatic Halides-- Other Types of Compounds-- 10 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-- General References. 11 Solutions to Unknowns.
  • (source: Nielsen Book Data)
Publisher's Summary:
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.
(source: Nielsen Book Data)
Tureček, František.

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