Understanding Mass Spectra

Autor: R. Martin Smith
Publisher: John Wiley & Sons
ISBN: 0471479349
File Size: 54,60 MB
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Understanding Mass Spectra: A Basic Approach, Second Edition combines coverage of the principles underlying mass spectral analysis with clear guidelines on how to apply them in a laboratory setting. Completely revised from the first edition, an updated and unified approach to mass spectral interpretation emphasizes the application of basic principles from undergraduate organic, analytical, and physical chemistry courses. A detailed overview of theory and instrumentation, this useful guide contains step-by-step descriptions of interpretative strategies and convenient lists and tables detailing the information needed to solve unknowns. Other features include real-world case studies and examples, skill-building problems with clearly explained answers, and easy-to-follow explanations of the important mathematical derivations.

Understanding Mass Spectra

Autor: R. Martin Smith
Publisher: Wiley-Interscience
ISBN: 9780471429494
File Size: 24,28 MB
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An updated and unified approach to mass spectral interpretation, emphasizing the application of basic principles Electron ionization (EI) mass spectrometry-an analytical tool used by chemists to identify and quantify compounds in a complex mixture-remains an essential technique for measuring low-molecular weight compounds such as drugs, flavor and odor components, pesticides, and petroleum products. The interpretation of EI mass spectra also remains an important skill because attempts to identify compounds using computer databases do not always yield useful results. Understanding Mass Spectra: A Basic Approach, Second Edition presents the introductory-level student with the fundamental concepts of mass spectrometry, providing a useful foundation for solving basic problems in a laboratory setting. Completely revised, the Second Edition includes: A detailed overview of theory and instrumentation Step-by-step descriptions of interpretative strategies Many fascinating real-world case studies and examples Additional skill-building problems with clearly explained answers Easy-to-follow explanations of all important mathematical derivations Convenient lists and tables of information needed to identify unknowns Additional suggested readings Containing problems and examples with a wide range of complexity, Understanding Mass Spectra emphasizes simple, practical treatments of topics such as fragmentation types and underlying mathematical relationships. Mastering these treatments allows for a solid grounding in basic principles and encourages advanced investigation. With this emphasis on comprehension, Understanding Mass Spectra, Second Edition provides a vital introduction to the field for upper-level undergraduates and beginning graduates, as well as a valuable resource for professional chemists working in analytical laboratories.

Understanding Mass Spectra

Autor: R. Martin Smith
Publisher: Wiley-Interscience
ISBN: 9780471297048
File Size: 56,78 MB
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A real-world guide to interpreting mass spectral data Although modern hardware and software systems have taken most of the "grunt work" out of mass spectrometry, even the most sophisticated automated systems have their limitations. For this reason, it is critical that mass spectrometrists possess the interpretative skills needed to avoid false positive identifications, overlooked unknowns, and missed research opportunities. This book provides them with a straightforward way to acquire those skills. Drawing upon his many years as a forensic chemist and an instructor of mass spectral interpretation, R. Martin Smith combines coverage of the principles underlying mass spectral analysis with clear guidelines on how to apply them in a laboratory setting. Writing from the perspective of a professional analytical chemist-but at a level accessible to chemistry undergraduates-he approaches the subject within the context of several key unifying concepts from organic and physical chemistry, including the roles of molecular orbitals in the ionization process and "electron pushing" for rationalizing reaction mechanisms. Discussions of instrumentation are the result of a collaboration with Kenneth L. Busch, a recognized expert in mass spectrometry, who served as technical editor for the book. Designed to serve equally well as a professional tutorial or an advanced textbook, Understanding Mass Spectra features: * A detailed overview of theory and instrumentation * Step-by-step descriptions of interpretative strategies * Many fascinating real-world case studies and examples * Skill-building problems with clearly explained answers * Easy-to-follow explanations of all important mathematical derivations * Convenient lists and tables detailing information needed to solve unknowns

Gas Chromatography And Mass Spectrometry A Practical Guide

Autor: O. David Sparkman
Publisher: Academic Press
ISBN: 9780080920153
File Size: 44,22 MB
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The second edition of Gas Chromatography and Mass Spectrometry: A Practical Guide follows the highly successful first edition by F.G. Kitson, B.S. Larsen, and C.N. McEwen (1996), which was designed as an indispensible resource for GC/MS practitioners regardless of whether they are a novice or well experienced. The Fundamentals section has been extensively reworked from the original edition to give more depth of an understanding of the techniques and science involved with GC/MS. Even with this expansion, the original brevity and simple didactic style has been retained. Information on chromatographic peak deconvolution has been added along with a more in-depth understanding of the use of mass spectral databases in the identification of unknowns. Since the last edition, a number of advances in GC inlet systems and sample introduction techniques have occurred, and they are included in the new edition. Other updates include a discussion on fast GC and options for combining GC detectors with mass spectrometry. The section regarding GC Conditions, Derivatization, and Mass Spectral Interpretation of Specific Compound Types has the same number of compound types as the original edition, but the information in each section has been expanded to not only explain some of the spectra but to also explain why certain fragmentations take place. The number of Appendices has been increased from 12 to 17. The Appendix on Atomic Masses and Isotope Abundances has been expanded to provide tools to aid in determination of elemental composition from isotope peak intensity ratios. An appendix with examples on "Steps to follow in the determination of elemental compositions based on isotope peak intensities" has been added. Appendices on whether to use GC/MS or LC/MS, third-party software for use in data analysis, list of information required in reporting GC/MS data, X+1 and X+2 peak relative intensities based on the number of atoms of carbon in an ion, and list of available EI mass spectral databases have been added. Others such as the ones on derivatization, isotope peak patterns for ions with Cl and/or Br, terms used in GC and in mass spectrometry, and tips on setting up, maintaining and troubleshooting a GC/MS system have all been expanded and updated. Covers the practical instruction necessary for successful operation of GC/MS equipment Reviews the latest advances in instrumentation, ionization methods, and quantitation Includes troubleshooting techniques and a variety of additional information useful for the GC/MS practitioner A true benchtop reference A guide to a basic understanding of the components of a Gas Chromatograph-Mass Spectrometer (GC-MS) Quick References to data interpretation Ready source for information on new analyses

Our Molecular Future

Autor: Douglas Mulhall
Publisher: Prometheus Books
ISBN: 1615922679
File Size: 23,12 MB
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This is a vital book for those who care about the environment, society and deploying new technology to check the destructive power of humankind.- Allan Thornton, President, Environmental Investigation Agency, Washington, DC., and recipient of the Albert Schweitzer MedalThis book will shake conventional environmental wisdom to its roots. ... A landmark work that should be read by environmentalists and businesspersons alike.- Patrick Moore, cofounder, Greenpeace; president, GreenspiritIn Our Molecular Future [Mulhall] neatly outlines why our increasing ability to manipulate single atoms and molecules is a concern, and lays out the opportunities and threats this technology presents. And it''s surprisingly readable, unlike most of the nanobabble in the science journals. In the end, as Mulhall admits, he poses more questions than he answers. But that''s a good place to start.-New ScientistI just finished reading Douglas Mulhall''s outstanding new book Our Molecular Future . . . and I highly recommend it. Put this one at the top of your list! . . . In an easy to read format, with very few forays into geek-speak, Mulhall presents his well considered and thoroughly researched theories. Overall, an excellent overview for those who wish to understand how disruptive and enabling technologies may save us from ourselves and from mother nature. And along the way you will learn a lot about how nanoscale technologies may enhance our lives, provide abundance for all, and greatly raise the standard of living for everyone. . . . Rating: five stars out of five.- Rocky Rawstern, Nanotech NowWhat Alvin Toffler''s Future Shock was to the 20th century, Our Molecular Future will be to the 21st century.'What will happen to our jobs, health care, and investments when the molecular revolution hits?How might artificial intelligence transform our lives?How can molecular technologies help us cope with climate changes, earthquakes, and other extreme natural threats?Our Molecular Future explores some intriguing possibilities that answer these questions and many others. Douglas Mulhall describes the exponential changes that are about to be wrought by the nanotechnology and robotic revolutions, which promise to reduce the scale of computing to the nanometerùa billionth of a meterùwhile increasing computing power to almost unimaginable levels.The resulting convergence of genetics, robotics, and artificial intelligence may give us hitherto undreamed-of capacities to transform our environment and ourselves. In the not-so-distant future, our world may include machines that scour our arteries to prevent heart disease, cars and clothes that change color at our whim, exotic products built in our own desktop factories, and enhancements to our personal financial security despite greatly accelerated obsolescence.But while technology is making these fantastic leaps, we may also encounter surprises that throw us into disarray: climate changes, earthquakes, or even a seemingly improbable asteroid collision. These extremes are not the nightmare scenarios of sensationalists, Mulhall stresses, nor are many of them human induced. Instead, they may be part of nature''s cycleùrecurring more often than we''ve thought possible.The good news is that this convergence of catastrophe and technological transformation may work to our advantage. If we''re smart, according to Mulhall, we can use molecular machines to protect ourselves from nature''s worst extremes, and harness their potential benefits to usher in an economic renaissance.This visionary link between future technology and past disasters is a valuable guide for every one of us who wants to be prepared for the twenty-first century.Further Praise for OUR MOLECULAR FUTURE:A provocative and profoundly convincing message from the future.- Graham Hancock, archaeological journalist and author of Fingerprints of the GodsIn a breezy, journalistic style, Our Molecular Future takes us on a tour through some of the issues that will preoccupy ma

Medical Applications Of Mass Spectrometry

Autor: Karoly Vekey
Publisher: Elsevier
ISBN: 0080554652
File Size: 17,64 MB
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Mass spectrometry is fast becoming an indispensable field for medical professionals. The mass spectrometric analysis of metabolites and proteins promises to revolutionize medical research and clinical diagnostics. As this technology rapidly enters the medical field, practicing professionals and students need to prepare to take full advantage of its capabilities. Medical Applications of Mass Spectrometry addresses the key issues in the medical applications of mass spectrometry at the level appropriate for the intended readership. It will go a long way to help the utilization of mass spectrometry in medicine. The book comprises five parts. A general overview is followed by a description of the basic sampling and separation methods in analytical chemistry. In the second part a solid foundation in mass spectrometry and modern techniques of data analysis is presented. The third part explains how mass spectrometry is used in exploring various classes of biomolecules, including proteins and lipids. In the fourth section mass spectrometry is introduced as a diagnostic tool in clinical treatment, infectious pathogen research, neonatal diagnostics, cancer, brain and allergy research, as well as in various fields of medicine: cardiology, pulmonology, neurology, psychiatric diseases, hemato-oncology, urologic diseases, gastrointestinal diseases, gynecology and pediatrics. The fifth part covers emerging applications in biomarker discovery and in mass spectrometric imaging. * Provides a broad look at how the medical field is benefiting from advances in mass spectrometry. * Guides the reader from basic principles and methods to cutting edge applications. * There is NO comparable book on the market to fill this fast growing field.

Mass Spectrometry

Autor: Edmond de Hoffmann
Publisher: John Wiley & Sons
ISBN: 1118681940
File Size: 20,89 MB
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The latest edition of a highly successful textbook, Mass Spectrometry, Third Edition provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. All instrumental aspects of mass spectrometry are clearly and concisely described: sources, analysers and detectors. Tandem mass spectrometry is introduced early on and then developed in more detail in a later chapter. Emphasis is placed throughout the text on optimal utilisation conditions. Various fragmentation patterns are described together with analytical information that derives from the mass spectra. This new edition has been thoroughly revised and updated and has been redesigned to give the book a more contemporary look. As with previous editions it contains numerous examples, references and a series of exercises of increasing difficulty to encourage student understanding. Updates include: Increased coverage of MALDI and ESI, more detailed description of time of flight spectrometers, new material on isotope ratio mass spectrometry, and an expanded range of applications. Mass Spectrometry, Third Edition is an invaluable resource for all undergraduate and postgraduate students using this technique in departments of chemistry, biochemistry, medicine, pharmacology, agriculture, material science and food science. It is also of interest for researchers looking for an overview of the latest techniques and developments.

Anthropic Awareness

Autor: Csaba Szantay, Jr.
Publisher: Elsevier
ISBN: 0124199798
File Size: 16,18 MB
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Anthropic Awareness: The Human Aspects of Scientific Thinking in NMR Spectroscopy and Mass Spectrometry blends psychology, philosophy, physics, mathematics, and chemistry, describing a human-centered philosophy of the essence of scientific thinking in the natural sciences and in everyday life. It addresses the reasons why we are prone to make errors in our conclusions and how to avoid such mistakes, also exploring a number of the "mental traps" that can lead to both individual mistakes and mass misconceptions. The book advocates that by understanding the nature of these mental traps we can adopt tactics to safely evade them. It includes Illustrative examples of common scientific misunderstandings and mental traps in both the theory and real-life application of NMR spectroscopy and mass spectrometry. Provides strategies on how to deal with molecular challenges and instrument limitations Presents multiple applications of small molecule structure elucidation using NMR, MS, IR, and UV Explores critical topics, including anthropic awareness (AA), NMR Spectroscopy, mass spectrometry, scientific thinking, and more Includes tactics on how to Improve quality control and data interpretation skills while minimizing data analysis time and increasing confidence in results Presents coverage on tactics to optimize experimental NMR parameters and enhance NMR vocabulary

Integrated Strategies For Drug Discovery Using Mass Spectrometry

Autor: Mike S. Lee
Publisher: John Wiley & Sons
ISBN: 0471721026
File Size: 70,96 MB
Format: PDF, Docs
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New strategies and techniques for today's fast-paced discovery process Today, the pressure is on for high-throughput approaches to accelerate the generation, identification, and optimization of molecules with desirable drug properties. As traditional methods of analysis become antiquated, new analytical strategies and techniques are necessary to meet sample throughput requirements and manpower constraints. Among them, mass spectrometry has grown to be a front-line tool throughout drug discovery. Integrated Strategies for Drug Discovery Using Mass Spectrometry provides a thorough review of current analytical approaches, industry practices, and strategies in drug discovery. The topics represent current industry benchmarks in specific drug discovery activities that deal with proteomics, biomarker discovery, metabonomic approaches for toxicity screening, lead identification, compound libraries, quantitative bioanalytical support, biotransformation, reactive metabolite characterization, lead optimization, pharmaceutical property profiling, sample preparation strategies, and automation. THIS BOOK: * Clearly explains how drug discovery and mass spectrometry are interconnected * Discusses the uses and limitations of various types of mass spectrometry in various aspects of drug discovery * Prominently features analytical applications that require trace-mixture analysis * Provides industry applications and real-world examples * Shares historical background information on various techniques to aid in the understanding of how and why new methods are now being employed to analyze samples

Organic Structures From Spectra

Autor: L. D. Field
Publisher: John Wiley & Sons
ISBN: 1118325486
File Size: 14,25 MB
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The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the student’s understanding of how structures are determined from spectra. Organic Structures from Spectra, Fifth Edition is a carefully chosen set of more than 280 structural problems employing the major modern spectroscopic techniques, a selection of 27 problems using 2D-NMR spectroscopy, more than 20 problems specifically dealing with the interpretation of spin-spin coupling in proton NMR spectra and 8 problems based on the quantitative analysis of mixtures using proton and carbon NMR spectroscopy. All of the problems are graded to develop and consolidate the student’s understanding of organic spectroscopy. The accompanying text is descriptive and only explains the underlying theory at a level which is sufficient to tackle the problems. The text includes condensed tables of characteristic spectral properties covering the frequently encountered functional groups. The examples themselves have been selected to include all important common structural features found in organic compounds and to emphasise connectivity arguments. Many of the compounds were synthesised specifically for this purpose. There are many more easy problems, to build confidence and demonstrate basic principles, than in other collections. The fifth edition of this popular textbook: • includes more than 250 new spectra and more than 25 completely new problems; • now incorporates an expanded suite of new problems dealing with the analysis of 2D NMR spectra (COSY, C H Correlation spectroscopy, HMBC, NOESY and TOCSY); • has been expanded and updated to reflect the new developments in NMR and to retire older techniques that are no longer in common use; • provides a set of problems dealing specifically with the quantitative analysis of mixtures using NMR spectroscopy; • features proton NMR spectra obtained at 200, 400 and 600 MHz and 13C NMR spectra include DEPT experiments as well as proton-coupled experiments; • contains 6 problems in the style of the experimental section of a research paper and two examples of fully worked solutions. Organic Structures from Spectra, Fifth Edition will prove invaluable for students of Chemistry, Pharmacy and Biochemistry taking a first course in Organic Chemistry. Contents Preface Introduction Ultraviolet Spectroscopy Infrared Spectroscopy Mass Spectrometry Nuclear Magnetic Resonance Spectroscopy 2DNMR Problems Index Reviews from earlier editions “Your book is becoming one of the “go to” books for teaching structure determination here in the States. Great work!” “…I would definitely state that this book is the most useful aid to basic organic spectroscopy teaching in existence and I would strongly recommend every instructor in this area to use it either as a source of examples or as a class textbook”. Magnetic Resonance in Chemistry “Over the past year I have trained many students using problems in your book - they initially find it as a task. But after doing 3-4 problems with all their brains activities... working out the rest of the problems become a mania. They get addicted to the problem solving and every time they solve a problem by themselves, their confident level also increases.” “I am teaching the fundamentals of Molecular Spectroscopy and your books represent excellent sources of spectroscopic problems for students.”