Interpretation of MS-MS Mass Spectra of Drugs and Pesticides

Name: Interpretation of MS-MS Mass Spectra of Drugs and Pesticides
Brand: Wiley
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Wilfried M. A. Niessen Ricardo A. Correa C.(Autor*in)

Wiley (Verlag)

Erschienen am 3. Januar 2017

416 Seiten

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Inhalt

Cover
Title Page
Copyright
Contents
Preface
Abbreviations
Chapter 1 Introduction to LC-MS Technology
1.1 Introduction
1.2 Analyte Ionization: Ion Sources
1.2.1 Electron Ionization
1.2.2 Chemical Ionization
1.2.3 Atmospheric-Pressure Ionization
1.2.4 Electrospray Ionization
1.2.5 Atmospheric-Pressure Chemical Ionization and Photoionization
1.2.6 Other Ionization Techniques
1.3 Mass Spectrometer Building Blocks
1.3.1 Introduction
1.3.2 Quadrupole Mass Analyzer
1.3.3 Ion-Trap Mass Analyzer
1.3.4 Time-of-Flight Mass Analyzer
1.3.5 Orbitrap Mass Analyzer
1.3.6 Other Mass Analyzers
1.4 Tandem Mass Spectrometry
1.4.1 Introduction
1.4.2 Tandem Quadrupole Instruments
1.4.3 Ion-Trap Instruments
1.4.4 Quadrupole-Linear Ion-Trap Hybrid Instruments
1.4.5 Quadrupole-Time-of-Flight Hybrid Instruments
1.4.6 Orbitrap Hybrid Instruments for MS-MS and MSn
1.4.7 Other Instruments for MS-MS and MSn
1.4.8 MS-MS and MSn in the Analysis of Drugs and Pesticides
1.5 Data Acquisition
1.5.1 Introduction
1.5.2 Selected-Ion and Selected-Reaction Monitoring
1.5.3 Structure-Specific Screening: Precursor-Ion and Neutral-Loss Analysis
1.5.4 Data-Dependent Acquisition
1.5.5 Data-Independent Acquisition
1.6 Selected Literature on Mass Spectrometry
References
Chapter 2 Interpretation of Mass Spectra
2.1 Mass Spectrometry: A Nuclear Affair
2.2 Isomers, Isotones, Isobars, Isotopes
2.3 Masses in MS
2.4 Isotopes and Structure Elucidation
2.5 Nitrogen Rule, Ring Double-Bond Equivalent, and Hydrogen Rule
2.6 Resolving Power, Resolution, Accuracy
2.7 Calculating Elemental Composition from Accurate m/z
2.8 Protonated and Deprotonated Molecules and Adduct Ions
References
Chapter 3 Fragmentation of Even-Electron Ions
3.1 Introduction
3.2 Analyte Ionization Revisited
3.3 Fragmentation of Odd-electron Ions
3.4 High-energy Collisions of Protonated Molecules
3.4.1 General Aspects
3.4.2 Selected Examples
3.5 Fragmentation of Protonated Molecules
3.5.1 Singly-Charged Peptides
3.5.2 Protonated Small Molecules: Complementary Fragment Ions
3.5.3 Fragmentation of Peptides Revisited
3.5.4 Direct-Cleavage Reactions
3.5.5 Consecutive Small-Molecule Losses
3.5.6 Other Fragmentation Reactions
3.5.7 Loss of Radicals from Even-Electron Ions
3.5.8 Skeletal Rearrangements in Protonated Molecules
3.6 Characteristic Positive-ion Fragmentation of Functional Groups
3.6.1 Cleavages of C-C Bonds
3.6.2 Alcohols and Ethers
3.6.3 Aldehydes and Ketones
3.6.4 Carboxylic Acids and Esters
3.6.5 Amines and Quaternary Ammonium Compounds
3.6.6 Amides, Sulfonyl Ureas, and Carbamates
3.6.7 Compounds Containing Phosphorus or Sulfur
3.6.8 Miscellaneous Compound Classes
3.7 Fragmentation of Deprotonated Molecules
3.7.1 High-Energy CID with NICI-Generated Deprotonated Molecules
3.7.2 General Aspects
3.7.3 Alcohols and Ethers
3.7.4 Carboxylic Acid and Esters
3.7.5 Amines
3.7.6 Amides and Ureas
3.7.7 Sulfonamides and Related Sulfones
3.7.8 Halogenated Compounds
3.7.9 Miscellaneous Compound Classes
3.8 Fragmentation of Metal-ion Cationized Molecules
3.9 Generation of Odd-electron Ions in ESI-MS, APCI-MS, and APPI-MS
3.10 Useful Tables
References
Chapter 4 Fragmentation of Drugs and Pesticides
4.1 Fragmentation of Drugs for Cardiovascular Diseases and Hypertension
4.1.1 -Blockers or -Adrenergic Antagonists
4.1.2 Dihydropyridine Calcium Antagonists
4.1.3 Angiotensin-Converting Enzyme Inhibitors
4.1.4 Diuretic Drugs
4.1.5 Angiotensin II Receptor Antagonists
4.1.6 Other Antihypertensive Compounds
4.1.7 Antiarrhythmic Agents
References
4.2 Fragmentation of Psychotropic or Psychoactive Drugs
4.2.1 Phenothiazines
4.2.2 Other Classes of Neuroleptic Drugs
4.2.3 Antidepressants
4.2.4 Benzodiazepines
4.2.5 Local Anesthetics
4.2.6 Barbiturates
4.2.7 Anticonvulsant Drugs
4.2.8 Other Psychotropic Drugs
References
4.3 Fragmentation of Analgesic, Antipyretic, and Anti-Inflammatory Drugs
4.3.1 Acetaminophen
4.3.2 Salicylic Acid Derivatives
4.3.3 Nonsteroidal Anti-Inflammatory Drugs
4.3.4 COX-2 Inhibitors
References
4.4 Fragmentation of Drugs Related to Digestion and the Gastrointestinal Tract
4.4.1 Antidiabetic Drugs
4.4.2 Antiulcer Drugs
4.4.3 Lipid-Lowering Agents
4.4.4 Anorexic Drugs
4.4.5 Antiemetic Drugs
References
4.5 Fragmentation of Other Classes of Drugs
4.5.1 -Adrenergic Receptor Agonists
4.5.2 Histamine Antagonists
4.5.3 Anticholinergic Agents
4.5.4 Drugs against Alzheimer's Disease: Acetylcholinesterase Inhibitors
4.5.5 Antiparkinsonian Drugs
4.5.6 Antineoplastic and Cytostatic Drugs
4.5.7 Immunosuppressive Drugs
4.5.8 X-ray Contrast Agents
4.5.9 Anticoagulants and Rodenticides
4.5.10 Conclusions
References
4.6 Fragmentation of Steroids
4.6.1 Introduction
4.6.2 Fragmentation of Steroids
4.6.3 Fragmentation in 3-Keto-3-KETO- 4-Steroids
4.6.4 Anabolic Steroids
4.6.5 Progestogens
4.6.6 Corticosteroids
4.6.7 Estrogens
4.6.8 Steroid Conjugates
References
4.7 Fragmentation of Drugs of Abuse
4.7.1 Introduction
4.7.2 Amphetamine and Related Compounds
4.7.3 Cannabinoids
4.7.4 Cocaine and Related Substances
4.7.5 Opiates
4.7.6 Miscellaneous Drugs of Abuse
4.7.7 Designer Drugs
References
4.8 Fragmentation of Antimicrobial Compounds
4.8.1 Sulfonamides
4.8.2 Chloramphenicol and Related Compounds
4.8.3 -Lactams
4.8.4 (Fluoro)quinolones
4.8.5 Aminoglycosides
4.8.6 Tetracyclines
4.8.7 Nitrofurans
4.8.8 Macrolides
4.8.9 Miscellaneous Antibiotics
References
4.9 Fragmentation of Antimycotic and Antifungal Compounds
4.9.1 Imidazolyl Antimycotic Compounds
4.9.2 Triazolyl Antifungal Compounds
4.9.3 Benzamidazole Fungicides
4.9.4 Other Classes of Fungicides
References
4.10 Fragmentation of Other Antibiotic Compounds
4.10.1 Anthelmintic Drugs
4.10.2 Antiprotozoal, Coccidiostatic, and Antimalarial Agents
4.10.3 Antiviral Drugs
4.10.4 Antiseptics and Disinfectants
References
4.11 Pesticides
4.11.1 Triazine Herbicides
4.11.2 Carbamates
4.11.3 Quaternary Ammonium Herbicides
4.11.4 Organophosphorus Pesticides
4.11.5 Urea Herbicides: Phenylureas, Benzoylphenylureas, and Others
4.11.6 Sulfonylurea Herbicides
4.11.7 Chlorinated Phenoxy Acid Herbicides
4.11.8 Phenolic Compounds
4.11.9 Miscellaneous Herbicides
References
Chapter 5 Identification Strategies
5.1 Introduction
5.2 Confirmation of Identity in Following Organic Synthesis
5.3 Confirmation of Identity in Targeted Screening by SRM-based Strategies
5.3.1 Environmental Analysis
5.3.2 Food Safety Analysis
5.3.3 Sports Doping Analysis
5.3.4 General Unknown Screening in Toxicology
5.4 Confirmation of Identity by High-resolution Accurate-mass MS Strategies
5.4.1 Environmental and Food Safety Analysis
5.4.2 General Unknown Screening in Toxicology
5.4.3 Sports Doping Analysis
5.5 Library Searching Strategies in Systematic Toxicological Analysis
5.6 Dereplication and Identification of Natural Products and Endogenous Compounds
5.7 Identification of Structure-related Substances
5.7.1 Drug Metabolites
5.7.2 Impurities and Degradation Products
5.8 Identification of Known Unknowns and Real Unknowns
References
Compound Index
Subject Index
EULA

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