Interpretation of MS-MS Mass Spectra of Drugs and Pesticides

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Provides comprehensive coverage of the interpretation of LC-MS-MS mass spectra of 1100 drugs and 200 pesticides Mass spectrometry (MS) is an indispensable tool in structure elucidation and quantitative analysis of a wide variety of compound classes, such as drugs and pesticides. For this purpose, MS is mostly used in combination with either gas or liquid chromatography (GC-MS or LC-MS). In compound identification by LC-MS, extensive knowledge is needed on the fragmentation of even-electron ions in tandem mass spectrometry (MS-MS). Interpretation of MS-MS Mass Spectra of Drugs and Pesticides details all of the relevant information on the fragmentation of drugs and pesticides, while proposing general fragmentation rules. Information about the fragmentation of drugs and pesticides in the scientific literature is both very scattered and rather incomplete. This book provides comprehensive information on fragmentation pathways of the various chemical compound classes. Whenever available or useful, fragmentation in both positive-ion and negative-ion modes is discussed and compared. Interpretation of MS-MS Mass Spectra of Drugs and Pesticides also features: * Interpretation of MS-MS spectra of important classes of compounds including drugs for cardiovascular diseases and hypertension, psychotropic or psychoactive compounds, drugs related to digestion and the gastrointestinal tract, antimicrobial compounds, and other classes of drugs, such as steroids, drugs of abuse, as well as pesticides and herbicides * A general discussion on the fragmentation of even-electron ions in both positive-ion and negative-ion modes * Important information on how to interpret spectra so that fragments that are not contained in a particular database can be correctly identified * Discussion on interpretation strategies in different application areas of small-molecule LC-MS * Introduction to MS-MS technology, concepts and terminology used in mass spectral analysis As there is no comprehensive book on the interpretation of MS-MS mass spectra of small organic molecules, this book would of great interest to many scientists looking to interpret mass spectra of such compounds Wilfried Niessen is an analytical chemist with 34 years of experience as a researcher and project manager in the field of principles, instrumentation and applications of liquid chromatography-mass spectrometry. As a consultant for hyphen MassSpec, he works all over Europe and beyond, having provided over 400 courses in more than 15 countries, as well as many consultancy projects. He was extraordinary professor bioanalytical mass spectrometry at VU University Amsterdam. He is the (co)author of more than 210 publications in the field of LC-MS, over 40 book chapters, 6 books, and guest-editor for 6 special volumes on mass spectrometry topics published by the Journal of Chromatography A. Ricardo A Correa C is an organic chemist who has been involved with mass spectrometry for 25 years. He runs Trans-Laboratory, a chemical analysis service provider, offering course cycles around Europe on analytical chemistry where GC-MS and LC-MS play a central role. He has developed applications which have been presented in scientific meetings in Belgium and The Netherlands, as well as coordinated the set-up of analytical chemistry laboratories overseas. He is the co-author of publications for reputed chemistry journals such as the Journal of the American Chemical Society, the Journal of Organic chemistry, the Journal of Chromatography A
Provides comprehensive coverage of the interpretation of LC-MS-MS mass spectra of 1300 drugs and pesticides * Provides a general discussion on the fragmentation of even-electron ions (protonated and deprotonated molecules) in both positive-ion and negative-ion modes * This is the reference book for the interpretation of MS-MS mass spectra of small organic molecules * Covers related therapeutic classes of compounds such as drugs for cardiovascular diseases, psychotropic compounds, drugs of abuse and designer drugs, antimicrobials, among many others * Covers general fragmentation rule as well as specific fragmentation pathways for many chemical functional groups * Gives an introduction to MS technology, mass spectral terminology, information contained in mass spectra, and to the identification strategies used for different types of unknowns

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Wilfried M. A. Niessen

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Chemie Chemistry Drug Discovery & Development Mass Spectrometry Massenspektrometrie Wirkstoffforschung Wirkstoffforschung u. -entwicklung

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