Table of contents for Mass spectrometry : principles and applications.

Bibliographic record and links to related information available from the Library of Congress catalog.

Note: Contents data are machine generated based on pre-publication provided by the publisher. Contents may have variations from the printed book or be incomplete or contain other coding.


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Contents
Preface
Introduction
1
	Principles
2
	Diagram of a Mass Spectrometer
6
	History
7
	Ion Free Path
14
1 Ion Sources
17
	1.1 Electron Ionization
18
	1.2 Chemical Ionization
20
		1.2.1 Proton transfer
22
		1.2.2 Adduct formation
24
		1.2.3 Charge-transfer chemical ionization
25
		1.2.4 Reagent gas
25
		1.2.5 Negative ion formation
29
		1.2.6 Desorption chemical ionization (DCI)
31
1.3 Field Ionization
32
1.4 Fast Atom Bombardment and Liquid Secondary Ion Mass Spectrometry
34
1.5 Field Desorption
37
1.6 Plasma Desorption
38
1.7 Laser Desorption
39
1.8 Matrix-Assisted Laser Desorption Ionization
39
1.8.1 Principle of MALDI
40
1.8.2 Practical considerations
43
1.8.3 Fragmentations
49
1.8.4 Atmospheric pressure matrix-assisted laser desorption ionization
50
1.9 Thermospray
52
	1.10 Atmospheric Pressure Ionization
53
	1.11 Electrospray
55
		1.11.1 Multiply charged ions
59
		1.11.2 Electrochemistry and electric field as origins of multiply charged ions
62
		1.11.3 Sensitivity to concentration
64
		1.11.4 Limitation of ion current from the source by the electrochemical process
65
		1.11.5 Practical considerations
69
	1.12 Atmospheric Pressure Chemical Ionization
69
	1.13 Atmospheric Pressure Photoionization (APPI)
72
	1.14 Atmospheric Pressure Secondary Ion Mass Spectrometry (APSIMS)
77
1.14.1 Desorption electrospray ionization (DESI)
77
1.14.2 Direct analysis in real time (DART)
79
1.15 Inorganic Ionization Sources
81
1.15.1 Thermal ionization source
83
1.15.2 Spark source
84
1.15.3 Glow discharge source
85
1.15.4 Inductively coupled plasma source
87
1.15.5 Practical considerations
89
1.16 Gas-Phase Ion?Molecule Reactions
90
1.17 Formation and Fragmentation of Ions: Basic Rules
97
1.17.1 Electron ionization and photoionization under vacuum
97
1.17.2 Ionization at low pressure or at atmospheric pressure
97
1.17.3 Proton transfer
98
1.17.4 Adduct formation
99
1.17.5 Formation of aggregates or clusters
100
1.17.6 Reactions at the interface between source and analyzer
101
2 Mass Analyzers
103
2.1 Quadrupole Analyzers
109
2.1.1 Description
109
2.1.2 Equations of motion
110
2.1.3 Ion guide and collision cell
117
2.1.4 Spectrometers with several quadrupoles in tandem
120
2.2 Ion Trap Analyzers
122
2.2.1 Three-dimensional ion trap
122
2.2.2 Two-dimensional ion trap
143
2.3 The Electrostatic Trap or ?Orbitrap?
148
2.4 Time-of-Flight Analyzers
154
2.4.1 Linear time-of-flight mass spectrometer
154
2.4.2 Delayed pulsed extraction
158
2.4.3 Reflectrons
161
2.4.4 Tandem mass spectrometry with time-of-flight analyzer
164
2.4.5 Orthogonal acceleration time-of-flight instruments
172
2.5 Magnetic and Electromagnetic Analyzers
177
2.5.1 Action of the magnetic field
177
2.5.2 Electrostatic field
178
2.5.3 Dispersion and resolution
179
2.5.4 Practical considerations
182
2.5.5 Tandem mass spectrometry in electromagnetic analyzers
184
2.6 Ion Cyclotron Resonance and Fourier Transform Mass Spectrometry
195
2.6.1 General principle
195
2.6.2 Ion cyclotron resonance
196
2.6.3 Fourier transform mass spectrometry
197
2.6.4 MSn in ICR/FTMS instruments
203
2.7 Hybrid Instruments
204
2.7.1 Electromagnetic analyzers coupled to quadrupoles or ion trap
204
2.7.2 Ion trap analyzer combined with time-of-flight or ion cyclotron resonance
206
2.7.3 Hybrids including a time-of-flight with orthogonal acceleration
207
3 Detectors and Computers
213
3.1 Detectors
213
3.1.1 Photographic plate
215
3.1.2 Faraday cup
215
3.1.3 Electron multipliers
216
3.1.4 Electro-optical ion detectors
221
3.2 Computers
222
3.2.1 Functions
222
3.2.2 Instrumentation
223
3.2.3 Data acquisition
224
3.2.4 Data conversion
227
3.2.5 Data reduction
227
3.2.6 Library search
227
4 Tandem Mass Spectrometry (MS/MS)
229
4.1 Tandem Mass Spectrometry in Space or in Time
230
4.2 Tandem Mass Spectrometry Scan Modes
233
4.3 Collision-activated or Collision-induced Dissociation (CAD or CID)
236
4.3.1 Collision energy conversion to internal energy
238
4.3.2 High-energy collision (keV)
241
4.3.3 Low-energy collision (between 1 and 100 eV)
242
4.4 Other Methods of Ion Activation
243
4.5 Reactions Studied in MS/MS
246
4.6 Tandem Mass Spectrometry Applications
250
4.6.1 Structure elucidation
250
4.6.2 Selective detection of target compound class
255
4.6.3 Ion?molecule reaction
258
4.6.4 The kinetic method
260
5 Mass Spectrometry/Chromatography Coupling
263
5.1 Elution Chromatography Coupling Techniques
265
5.1.1 Gas chromatography/mass spectrometry (GC/MS)
266
5.1.2 Liquid chromatography/mass spectrometry (LC/MS)
268
5.1.3 Capillary electrophoresis/mass spectrometry (CE/MS)
277
5.2 Chromatography Data Acquisition Modes
279
5.3 Data Recording and Treatment
282
5.3.1. Data recording
282
5.3.2 Instrument control and treatment of results
284
6 Analytical Information
297
6.1 Mass Spectrometry Spectral Collections
297
6.2 High Resolution
300
6.2.1 Information at different resolving powers
306
6.2.2 Determination of the elemental composition
308
6.3 Isotopic Abundances
308
6.4 Low-mass Fragments and Lost Neutrals
317
6.5 Number of Rings or Unsaturations
318
6.6 Mass and Electron Parities, Closed-shell Ions and Open-shell Ions
319
6.6.1 Electron parity
319
6.6.2 Mass parity
319
6.6.3 Relationship between mass and electron parity
320
6.7 Quantitative Data
322
6.7.1 Specificity
322
6.7.2 Sensitivity and detection limit
324
6.7.3 External standard method
327
6.7.4 Sources of error
328
6.7.5 Internal standard method
329
6.7.6 Isotopic dilution method
331
7 Fragmentation Reactions
335
7.1 Electron Ionization and Fragmentation Rates
335
7.2 Quasi-equilibrium and RRKM Theory
337
7.3 Ionization and Appearance Energies
343
7.4 Fragmentation Reactions of Positive Ions
344
7.4.1 Fragmentation of odd-electron cations or radical cations (OE.+)
344
7.4.2 Fragmentation of cations with an even number of electrons (EE+)
353
7.4.3 Fragmentations obeying the parity rule
354
7.4.4 Fragmentations not obeying the parity rule
358
7.5 Fragmentation Reactions of Negative Ions
358
7.5.1 Fragmentation mechanisms of even electron anions (EE?)
359
7.5.2 Fragmentation mechanisms of radical anions (OE. ?)
362
7.6 Charge Remote Fragmentation (CRF)
362
7.7 Spectrum Interpretation
363
7.7.1 Typical ions
364
7.7.2 Presence of the molecular ion
364
7.7.3 Typical neutrals
365
7.7.4 A few examples of the interpretation of mass spectra
367
8 Analysis of Biomolecules
373
8.1 Biomolecules and Mass Spectrometry
373
8.2 Proteins and Peptides
374
8.2.1 ESI and MALDI
377
8.2.2 Structure and sequence determination using fragmentation
381
8.2.3. Applications
404
8.3. Oligonucleotides
435
8.3.1. Mass Spectra of Oligonucleotides
436
8.3.2. Applications of Mass Spectrometry to Oligonucleotides
441
8.3.3. Fragmentation of Oligonucleotides
447
8.3.4. Characterization of Modified Oligonucleotides
453
8.4. Oligosaccharides
457
8.4.1. Mass Spectra of Oligosaccharides
458
8.4.2. Fragmentation of Oligosaccharides
461
8.4.3. Degradation of Oligosaccharides Coupled with Mass Spectrometry
469
8.5. Lipids
476
8.5.1. Fatty Acids
477
8.5.2 Acylglycerols
483
8.5.3. Bile Acids
488
8.6 Metabolomics
494
8.6.1 Mass spectrometry in metabolomics
495
8.6.2 Applications
497
9 Exercises
501
A. Questions
501
B. Answers
515
Appendices
541
Appendix 1. Nomenclature
541
1.1. Units
541
1.2. Definitions
542
1.3. Analyzers
543
1.4. Detection
544
1.5. Ionization
545
1.6 Ion Types
546
1.7. Ion?molecule Reaction
547
1.8. Fragmentation
548
Appendix 2. Abbreviations
549
Appendix 3. Fundamental Physical Constants 
555
Appendix 4A . Table of Isotopes in Ascending Mass Order 
556
Appendix 4B. Table of Isotopes in Alphabetical Order 
562
Appendix 5. Isotopic Abundances in % for Various Elemental Compositions CHON (M = 100%)
568
Appendix 6. Gas-Phase Ion Thermochemical Data of Molecules 
582
Appendix 7. Gas-Phase Ion Thermochemical Data of Radicals 
585
Appendix 8. Literature on Mass Spectrometry
587
Appendix 9. Mass Spectrometry on Internet
596
Index

Library of Congress Subject Headings for this publication:

Mass spectrometry.