MASS SPECTROMETRY PRINCIPLES AND APPLICATIONS THIRD EDITION2025|PDF|Epub|mobi|kindle电子书版本百度云盘下载

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Introduction1

Principles1

Diagram of a Mass Spectrometer4

History5

Ion Free Path10

1 Ion Sources15

1.1 Electron Ionization15

1.2 Chemical Ionization17

1.2.1 Proton transfer19

1.2.2 Adduct formation21

1.2.3 Charge-transfer chemical ionization21

1.2.4 Reagent gas22

1.2.5 Negative ion formation25

1.2.6 Desorption chemical ionization27

1.3 Field Ionization28

1.4 Fast Atom Bombardment and Liquid Secondary Ion Mass Spectrometry29

1.5 Field Desorption31

1.6 Plasma Desorption32

1.7 Laser Desorption33

1.8 Matrix-Assisted Laser Desorption Ionization33

1.8.1 Principle of MALDI33

1.8.2 Practical considerations36

1.8.3 Fragmentations39

1.8.4 Atmospheric pressure matrix-assisted laser desorption ionization39

1.9 Thermospray41

1.10 Atmospheric Pressure Ionization42

1.11 Electrospray43

1.11.1 Multiply charged ions46

1.11.2 Electrochemistry and electric field as origins of multiply charged ions48

1.11.3 Sensitivity to concentration50

1.11.4 Limitation of ion current from the source by the electrochemical process51

1.11.5 Practical considerations54

1.12 Atmospheric Pressure Chemical Ionization55

1.13 Atmospheric Pressure Photoionization56

1.14 Atmospheric Pressure Secondary Ion Mass Spectrometry61

1.14.1 Desorption electrospray ionization61

1.14.2 Direct analysis in real time62

1.15 Inorganic Ionization Sources65

1.15.1 Thermal ionization source65

1.15.2 Spark source67

1.15.3 Glow discharge source68

1.15.4 Inductively coupled plasma source69

1.15.5 Practical considerations71

1.16 Gas-Phase Ion-Molecule Reactions72

1.17 Formation and Fragmentation of Ions：Basic Rules76

1.17.1 Electron ionization and photoionization under vacuum77

1.17.2 Ionization at low pressure or at atmospheric pressure77

1.17.3 Proton transfer77

1.17.4 Adduct formation78

1.17.5 Formation of aggregates or clusters79

1.17.6 Reactions at the interface between source and analyser79

2 Mass Analysers85

2.1 Quadrupole Analysers88

2.1.1 Description88

2.1.2 Equations of motion91

2.1.3 Ion guide and collision cell96

2.1.4 Spectrometers with several quadrupoles in tandem98

2.2 Ion Trap Analysers100

2.2.1 The 3D ion trap100

2.2.2 The 2D ion trap117

2.3 The Electrostatic Trap or ‘Orbitrap’122

2.4 Time-of-Flight Analysers126

2.4.1 Linear time-of-flight mass spectrometer126

2.4.2 Delayed pulsed extraction129

2.4.3 Reflectrons131

2.4.4 Tandem mass spectrometry with time-of-flight analyser134

2.4.5 Orthogonal acceleration time-of-flight instruments139

2.5 Magnetic and Electromagnetic Analysers143

2.5.1 Action of the magnetic field143

2.5.2 Electrostatic field144

2.5.3 Dispersion and resolution145

2.5.4 Practical considerations146

2.5.5 Tandem mass spectrometry in electromagnetic analysers149

2.6 Ion Cyclotron Resonance and Fourier Transform Mass Spectrometry157

2.6.1 General principle157

2.6.2 Ion cyclotron resonance159

2.6.3 Fourier transform mass spectrometry159

2.6.4 MSn in ICR/FTMS instruments164

2.7 Hybrid Instruments164

2.7.1 Electromagnetic analysers coupled to quadrupoles or ion trap165

2.7.2 Ion trap analyser combined with time-of-flight or ion cyclotron resonance166

2.7.3 Hybrids including time-of-flight with orthogonal acceleration167

3 Detectors and Computers175

3.1 Detectors175

3.1.1 Photographic plate176

3.1.2 Faraday cup176

3.1.3 Electron multipliers177

3.1.4 Electro-optical ion detectors181

3.2 Computers182

3.2.1 Functions183

3.2.2 Instrumentation183

3.2.3 Data acquisition183

3.2.4 Data conversion186

3.2.5 Data reduction186

3.2.6 Library search186

4 Tandem Mass Spectrometry189

4.1 Tandem Mass Spectrometry in Space or in Time189

4.2 Tandem Mass Spectrometry Scan Modes192

4.3 Collision-Activated Decomposition or Collision-Induced Dissociation195

4.3.1 Collision energy conversion to internal energy196

4.3.2 High-energy collision（keV）198

4.3.3 Low-energy collision（between 1 and 100 eV）199

4.4 Other Methods of Ion Activation199

4.5 Reactions Studied in MS/MS202

4.6 Tandem Mass Spectrometry Applications204

4.6.1 Structure elucidation205

4.6.2 Selective detection of target compound class207

4.6.3 Ion-molecule reaction210

4.6.4 The kinetic method211

5 Mass Spectrometry/Chromatography Coupling217

5.1 Elution Chromatography Coupling Techniques218

5.1.1 Gas chromatography/mass spectrometry219

5.1.2 Liquid chromatography/mass spectrometry221

5.1.3 Capillary electrophoresis/mass spectrometry228

5.2 Chromatography Data Acquisition Modes228

5.3 Data Recording and Treatment230

5.3.1 Data recording230

5.3.2 Instrument control and treatment of results232

6 Analytical Information243

6.1 Mass Spectrometry Spectral Collections243

6.2 High Resolution245

6.2.1 Information at different resolving powers249

6.2.2 Determination of the elemental composition251

6.3 Isotopic Abundances251

6.4 Low-mass Fragments and Lost Neutrals257

6.5 Number of Rings or Unsaturations258

6.6 Mass and Electron Parities，Closed-shell Ions and Open-shell Ions259

6.6.1 Electron parity259

6.6.2 Mass parity259

6.6.3 Relationship between mass and electron parity260

6.7 Quantitative Data260

6.7.1 Specificity260

6.7.2 Sensitivity and detection limit262

6.7.3 External standard method264

6.7.4 Sources of error265

6.7.5 Internal standard method266

6.7.6 Isotopic dilution method268

7 Fragmentation Reactions273

7.1 Electron Ionization and Fragmentation Rates273

7.2 Quasi-Equilibrium and RRKM Theory275

7.3 Ionization and Appearance Energies279

7.4 Fragmentation Reactions of Positive Ions280

7.4.1 Fragmentation of odd-electron cations or radical cations（OE？＋）280

7.4.2 Fragmentation of cations with an even number of electrons（EE＋）286

7.4.3 Fragmentations obeying the parity rule288

7.4.4 Fragmentations not obeying the parity rule291

7.5 Fragmentation Reactions of Negative Ions291

7.5.1 Fragmentation mechanisms of even electron anions（EE-）292

7.5.2 Fragmentation mechanisms of radical anions（OE？-）293

7.6 Charge Remote Fragmentation293

7.7 Spectrum Interpretation294

7.7.1 Typical ions296

7.7.2 Presence of the molecular ion296

7.7.3 Typical neutrals296

7.7.4 A few examples of the interpretation of mass spectra298

8 Analysis of Biomolecules305

8.1 Biomolecules and Mass Spectrometry305

8.2 Proteins and Peptides306

8.2.1 ESI and MALDI307

8.2.2 Structure and sequence determination using fragmentation309

8.2.3 Applications324

8.3 Oligonucleotides342

8.3.1 Mass spectra of oligonucleotides343

8.3.2 Applications of mass spectrometry to oligonucleotides346

8.3.3 Fragmentation of oligonucleotides351

8.3.4 Characterization of modified oligonucleotides355

8.4 Oligosaccharides357

8.4.1 Mass spectra of oligosaccharides358

8.4.2 Fragmentation of oligosaccharides360

8.4.3 Degradation of oligosaccharides coupled with mass spectrometry367

8.5 Lipids371

8.5.1 Fatty acids373

8.5.2 Acylglycerols376

8.5.3 Bile acids382

8.6 Metabolomics386

8.6.1 Mass spectrometry in metabolomics387

8.6.2 Applications388

9 Exercises403

Questions403

Answers415

Appendices437

1 Nomenclature437

1.1 Units437

1.2 Definitions437

1.3 Analysers438

1.4 Detection439

1.5 Ionization440

1.6 Ion types441

1.7 Ion-molecule reaction442

1.8 Fragmentation442

2 Acronyms and abbreviations442

3 Fundamental Physical Constants446

4A Table of Isotopes in Ascending Mass Order447

4B Table of Isotopes in Alphabetical Order452

5 Isotopic Abundances（in ％）for Various Elemental Compositions CHON457

6 Gas-Phase Ion Thermochemical Data of Molecules467

7 Gas-Phase Ion Thermochemical Data of Radicals469

8 Literature on Mass Spectrometry470

9 Mass Spectrometry on Internet476

Index479