Interpretation of Mass Spectra


Author: Fred W. McLafferty,František Tureček
Publisher: University Science Books
ISBN: 9780935702255
Category: Science
Page: 371
View: 2351

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Published by University Science Books, 20 Edgehill Rd., Mill Valley, CA 94941. The first edition was published more than 25 years ago, the third, in 1980. Automated computer-matching procedures are still only an aid to, not a replacement for, the skilled interpreter; and the path to that skill, as emphasized in every edition of this text, is practice. Annotation copyright by Book News, Inc., Portland, OR

Interpretation of Mass Spectra of Organic Compounds


Author: Mynard Hamming
Publisher: Elsevier
ISBN: 0323143148
Category: Science
Page: 708
View: 4796

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Interpretation of Mass Spectra of Organic Compounds outlines the basic instrumentation, sample handling techniques, and procedures used in the interpretation of mass spectra of organic compounds. The fundamental concepts of ionization, fragmentation, and rearrangement of ions as found in mass spectra are covered in some detail, along with the rectangular array and interpretation maps. Computerization of mass spectral data is also discussed. This book consists of nine chapters and begins with a historical overview of mass spectrometry and a discussion on some important developments in the field, along with a summary of interpretation objectives and methods. The following chapters focus on instruments, ion sources, and detectors; recording of the mass spectrum and the instrumental and sample variables affecting the mass spectrum; sample introduction systems; and fragmentation reactions. Correlations as applied to interpretations are also considered, with emphasis on applications of the branching rule as well as beta-bond and alpha-bond cleavages. Example interpretations, calculations, data-processing procedures, and computer programs are included. This monograph is intended for organic chemists, biochemists, mass spectroscopists, technicians, managers, and others concerned with the whys and wherefores of mass spectrometry.

A Beginner's Guide to Mass Spectral Interpretation


Author: Terrence A. Lee
Publisher: John Wiley & Sons
ISBN: 9780471976295
Category: Science
Page: 186
View: 2253

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This book is a logical, step-by-step guide to identification of organic compounds by mass spectrometry. The book is organized into chapters covering the major types of organic compounds, including alcohols, acids and esters, aldehydes and ketones, ethers, hydrocarbons, halogenated compounds, amines and amides, and sulfur-containing compounds. In each chapter, the mechanisms of the major fragmentation pathways are discussed, with reference to several simple sample compounds. By teaching the user to recognize typical fragmentations, the book removes the need to search databases, often limited, of electronic spectra. Key features of the book include: * 200 representative spectra of common organic compounds * Functional group approach to mass spectra interpretation * Appendix of 'unknown' spectra with step-by-step guide to identification This book is a must for anyone who needs to identify organic molecules by mass spectrometry but does not need to know the detailed workings of a mass spectrometer.

Interpretation of MS-MS Mass Spectra of Drugs and Pesticides


Author: Wilfried M. A. Niessen,Ricardo A. Correa C.
Publisher: John Wiley & Sons
ISBN: 1119294258
Category: Science
Page: 416
View: 421

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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

Mass Spectrometry

Principles and Applications
Author: Edmond de Hoffmann,Vincent Stroobant
Publisher: John Wiley & Sons
ISBN: 1118681940
Category: Science
Page: 504
View: 8492

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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.

Mass Spectrometry

Instrumentation, Interpretation, and Applications
Author: Agnieszka Kraj,Dominic M. Desiderio,Nico M. Nibbering
Publisher: John Wiley & Sons
ISBN: 047039580X
Category: Science
Page: 358
View: 9895

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With contributions from noted experts from Europe and North America, Mass Spectrometry Instrumentation, Interpretation, and Applications serves as a forum to introduce students to the whole world of mass spectrometry and to the many different perspectives that each scientific field brings to its use. The book emphasizes the use of this important analytical technique in many different fields, including applications for organic and inorganic chemistry, forensic science, biotechnology, and many other areas. After describing the history of mass spectrometry, the book moves on to discuss instrumentation, theory, and basic applications.

Introduction to Mass Spectrometry

Instrumentation, Applications, and Strategies for Data Interpretation
Author: J. Throck Watson,O. David Sparkman
Publisher: John Wiley & Sons
ISBN: 1118681584
Category: Science
Page: 864
View: 6090

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Completely revised and updated, this text provides an easy-to-read guide to the concept of mass spectrometry and demonstrates its potential and limitations. Written by internationally recognised experts and utilising "real life" examples of analyses and applications, the book presents real cases of qualitative and quantitative applications of mass spectrometry. Unlike other mass spectrometry texts, this comprehensive reference provides systematic descriptions of the various types of mass analysers and ionisation, along with corresponding strategies for interpretation of data. The book concludes with a comprehensive 3000 references. This multi-disciplined text covers the fundamentals as well as recent advance in this topic, providing need-to-know information for researchers in many disciplines including pharmaceutical, environmental and biomedical analysis who are utilizing mass spectrometry

Mass Spectrometry

A Textbook
Author: Jürgen H Gross
Publisher: Springer
ISBN: 3319543989
Category: Science
Page: 968
View: 5844

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This book offers a balanced mixture of practice-oriented information and theoretical background as well as numerous references, clear illustrations, and useful data tables. Problems and solutions are accessible via a special website. This new edition has been completely revised and extended; it now includes three new chapters on tandem mass spectrometry, interfaces for sampling at atmospheric pressure, and inorganic mass spectrometry.

Understanding Mass Spectra

A Basic Approach
Author: R. Martin Smith
Publisher: John Wiley & Sons
ISBN: 0471479349
Category: Science
Page: 372
View: 892

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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.

Gas Chromatography and Mass Spectrometry: A Practical Guide


Author: O. David Sparkman,Zelda Penton,Fulton G. Kitson
Publisher: Academic Press
ISBN: 9780080920153
Category: Science
Page: 632
View: 7426

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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

Mass Spectrometry Data Analysis in Proteomics


Author: Rune Matthiesen
Publisher: Springer Science & Business Media
ISBN: 1597452750
Category: Science
Page: 320
View: 516

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The intention of Mass Spectrometry Data Analysis in Proteomics is to support researchers in deciding which programs to use in various tasks related to analysis of mass spectrometry data in proteomics. The chapters give a precise description of the theoretical background of each topic followed accurate descriptions of programs and the parameters best suited for different cases.

Advances in Mass Spectrometry


Author: P.G. Kistemaker,N.M.M. Nibbering
Publisher: Elsevier
ISBN: 0444599452
Category: Science
Page: 975
View: 5700

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These proceedings, containing the texts of the invited lectures, cover all aspects of mass spectrometry including theory, fundamental studies, applications and instrumentation. Emphasis is placed on recent developments. A complete listing of the posters is included.

Interpreting Protein Mass Spectra

A Comprehensive Resource
Author: A. Peter Snyder
Publisher: Amer Chemical Society
ISBN: N.A
Category: Science
Page: 522
View: 5722

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Interpreting Protein Mass Spectra is a hands-on laboratory guide for a wide range of researchers investigating the structures of proteins an d peptides. The focus is on the interpretation of structural informati on gathered through electrospray ionization-mass spectrometry (ESI-MS) . The book will also provide useful background and protocols for anyon e using matrix-assisted laser desorption/ionization (MALDI), fast atom bombardment (FAB), and secondary ion mass spectrometry (SIMS). The bo ok includes numerous practical examples, detailed discussions of exper imental setups, and valuable hints for troubleshooting both methods an d the handling of materials.

Mass Spectrometry for the Novice


Author: John Greaves,John Roboz
Publisher: CRC Press
ISBN: 1420094203
Category: Science
Page: 309
View: 559

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With usage of mass spectrometry continually expanding, an increasing number of scientists, technicians, students, and physicians are coming into contact with this valuable technique. Mass spectrometry has many uses, both qualitative and quantitative, from analyzing simple gases to environmental contaminants, pharmaceuticals, and complex biopolymers. The extraordinary versatility can make mass spectrometers daunting to novices. Consequently, new users would benefit greatly from an understanding of the basic concepts as well as the processes that occur in these instruments. Mass Spectrometry for the Novice provides exactly that, with detailed, straightforward descriptions and clear illustrations of principles of operations and techniques. The book begins with an overview that includes essential definitions and then provides information on the components of and the strategies used in the most common instruments. The authors discuss the methodologies available, classes of compounds analyzed, and the types of data that can be generated. A group of representative applications from published articles is summarized, demonstrating the diversity of mass spectrometry. The authors also condense the essentials of the topic into one invaluable chapter that provides a set of concise take-home messages on all aspects of mass spectrometry. The final section provides a collection of resources including books, reviews, and useful websites. Using simple language, new color figures, clever cartoons, and assuming no prior knowledge, this book provides a readily understandable entrée to mass spectrometry. A CD-ROM with selected figures and cartoons is included.

Mass Spectrometry of Natural Products

Plenary Lectures Presented at the International Mass Spectrometry Symposium on Natural Products, Rehovot, Israel, 28 August - 2 September 1977
Author: B. Sklarz
Publisher: Elsevier
ISBN: 1483158748
Category: Science
Page: 320
View: 9851

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Mass Spectrometry of Natural Products covers the plenary lectures presented at the International Mass Spectrometry Symposium on Natural Products, held in Rehovot, Israel from August 28 to September 2, 1977. The book focuses on the sequencing, spectroscopy, chromatography, and spectrometry of natural products. The selection first discusses mass spectrometric sequencing of peptides and proteins and mass spectroscopic investigation of nucleic acid degradation products. The book then examines advances in the mass spectrometry of steroids, including sterols with unsaturated side chains and ring D fragmentation of saturated sterols and steranes. The text evaluates the mass spectrometry and language of biological fluids. Topics include separation by glass capillary chromatography and structure of determination of unknown compounds. The book also focuses on structural and sequencing studies on peptides, proteins, and glycopeptide by mass spectrometry and directed fragmentation in mass spectrometry by the introduction of functional groups. The selection is a dependable reference for readers interested in mass spectrometry of natural products.

Interpretation of Organic Spectra


Author: Yong-Cheng Ning
Publisher: John Wiley & Sons
ISBN: 0470828315
Category: Science
Page: 416
View: 1686

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Although there are a number of books in this field, most of them lack an introduction of comprehensive analysis of MS and IR spectra, and others do not provide up-to-date information like tandem MS. This book fills the gap. The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1H spectra (Chapter 1), 13C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra (Chapter 5). In each chapter the author presents very practical application skills by providing various challenging examples. The last chapter (Chapter 6) provides the strategy, skills and methods on how to identify an unknown compound through a combination of spectra. Based on nearly 40 years researching and teaching experience, the author also proposes some original and creative ideas, which are very practical for spectral interpretation.

Assigning Structures to Ions in Mass Spectrometry


Author: John L. Holmes,Christiane Aubry,Paul M. Mayer
Publisher: CRC Press
ISBN: 9780203492475
Category: Science
Page: 472
View: 1796

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Summarizing our present knowledge of the structures and chemistry of small organic cations in the gas phase, Assigning Structures to Ions in Mass Spectrometry presents the methods necessary for determining gas-phase ion structures. It is a comprehensive resource of background material that is essential for the interpretation and understanding of organic mass spectra. Following a historical introduction of chief discoveries, the book surveys current experimental methods for ion production and separation as well as those designed to reveal qualitative and quantitative aspects of gas-phase ions. It also examines the computational chemistry and theoretical calculations that provide complementary thermochemical, structural, and mechanistic information. Five selected case studies illustrate specific challenges associated with ion structure assignment and thermochemical problems. The last major section of the book contains the data for describing or identifying all ions containing C alone and C with H, O, N, S, P, halogens, and small organic cations. Presenting material written by leading researchers in the field, Assigning Structures to Ions in Mass Spectrometry underscores the importance of understanding the behavior of small organic ions and gas-phase ion chemistry for making new ion structure assignments

Basic Gas Chromatography-Mass Spectrometry

Principles and Techniques
Author: F.W. Karasek,R.E. Clement
Publisher: Elsevier
ISBN: 0080929060
Category: Science
Page: 210
View: 361

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The book begins by covering the basic principles of both gas chromatography (GC) and mass spectrometry (MS) to the extent necessary to understand and deal with the data generated in a GC-MS analysis. The focus then turns to the particular requirements created by a direct combination of these two techniques into a single instrumentation system. The data generated and their use are covered in detail. The role of the computer and its specific software receives special attention, especially in the matter of compound identification via mass spectral search techniques. GC-MS-computer instrumentation has reached such a plateau of excellence today that the present commercial systems will not be obsolete for a long time to come. Therefore, a detailed description of these systems is not only informative but is also pertinent to the subject matter of this book. Finally, representative applications and results obtained with GC-MS-computer techniques are presented and chosen in such a way as to permit extrapolation of specific applications to similar problems encountered by the reader. To aid the reader in mastering the subject matter and increase understanding, interpretation problems and suggested readings are included. The format is instructional, informative and application-oriented with material presented in such a way as to be useful to a broad spectrum of people. The book serves as a text in its own right. The software package Gas Chromatography-Mass Spectrometry: A Knowledge Base, by F.A. Settle, Jr. and M.A. Pleva provides rapid access to a wealth of current information in the GC-MS field. Its three diskettes (51/4 inch) allow the user three ways to access: the index mode, the tree mode and a keyword search mode. The package may be purchased separately and is available for the IBM-PC and compatibles. The software provides a valuable supplement to the book.