Handbook of GC-MS: Fundamentals and Applications

Essential handbook for all analytical scientists and laboratories using GC-MS, covering both the fundamental and practical aspects of this analytical technique From essentials to applications, Handbook of GC-MS:Fundamentals and Applications is a comprehensive reference and training compendium on the popular and evolving technique of GC-MS (gas chromatography/mass spectrometry), guiding readers through the most used sample preparation methods for GC-MS and method development, with many practical indications supporting the design of optimized analyses, and providing practical approaches to data processing, compound identification, and quantification. The text details both a solid background and principles of operation, as well as a broad range of current real-life examples taken from laboratories in environmental, food, pharmaceutical, and forensic analysis. It also features a glossary of more than 300 terms, and a comprehensive substance index that facilitates finding a specific application. This timely Fourth Edition covers the latest developments in automated sample preparation techniques and instrumentation, also with the focus on Green Analytical Chemistry. This comprehensive handbook presents GC-MS applications in various fields, with coverage of the well-known QuEChERS pesticide extraction, solid phase extraction and solid phase microextraction, static and dynamic headspace analysis, liquid/liquid extraction, outgassing, and thermal desorption, including pyrolysis. Single and triple quadrupole, Orbitrap, time-of-flight, magnetic sector, ion mobility and isotope ratio MS are discussed with their advantages and limitations. Sample topics covered in Handbook of GC-MS: Fundamentals and Applications include: Sample inlet systems for hot needle, liquid band injection with large volume and LC-GC application, carrier gas saving, choice of columns, septa and injection port liners Optimization of the GC method with carrier gas flow, effect of oven temperature ramp rates, fast GC, and multi-dimensional gas chromatography Ionization processes, electron and chemical ionization, resolution power in mass spectrometry, reading and interpreting mass spectra Extraction of mass spectra, manual spectrum subtraction, deconvolution of mass spectra, retention index, and library search of mass spectra Typical mass spectra of common analyte groups like pesticides, persistent organic pollutants, drugs; explosives; and of frequently occurring impurities Quantification using external and internal standards and standard addition methods. Determination of the limits of detection and quantitation. Applications covering food, water, flavor and fragrance, metabolomics, forensic and material analysis The Handbook of GC-MS: Fundamentals and Applications is an essential reference for the daily GC-MS practice and application of new methods. It serves as an excellent introduction for newcomers as well as an educational resource about this analytical technique. Analytical chemists, chromatographers, environmental chemists, food chemists, and pharmaceutical chemists will find it of high practical use.

Table of Contents:
Foreword xvii Preface to the Fourth Edition xix 1 Introduction 1 1.1 The Historical Development of the GC-MS Technique 4 References 7 2 Fundamentals 9 2.1 Sample Preparation 9 References 105 2.2 Gas Chromatography 128 References 273 2.3 Mass Spectrometry 291 References 400 3 Evaluation of GC-MS Analyses 413 3.1 Display of Chromatograms 413 3.2 Substance Identification 418 3.3 Quantitation 505 3.4 Frequently Occurring Impurities 523 References 531 4 Applications 541 4.1 Air Analysis According to U.S. EPA Method TO- 14 541 4.2 BTEX in Surface Water as of U.S. EPA Method 8260 549 4.3 Volatile Priority Pollutants 554 4.4 MAGIC 60 – VOC Analysis 560 4.5 irm-GC-MS of Volatile Organic Compounds 569 4.6 Organotin Compounds in Water 572 4.7 Analysis of Dithiocarbamate Pesticides 577 4.8 Pesticides Multi-Method by Single Quadrupole MS 584 4.9 QuEChERSER Analysis of Pesticides 594 4.10 Pesticide Analysis with Ethyl Acetate Extraction and Automated Micro-SPE Clean-up 599 4.11 Multi-Residue Pesticides Analysis in Ayurvedic Churna 603 4.12 Polar Aromatic Amines by SPME 614 4.13 Phthalates in Liquors 619 4.14 Natural Spice Ingredients Capsaicin, Piperine, Thymol, and Cinnamaldehyde 626 4.15 Geosmin and Methylisoborneol in Drinking Water 632 4.16 Flavor and Fragrance Profiling by Dual-Column GC-MS 637 4.17 Aroma Profiling of Cheese 644 4.18 Allergens 649 4.19 Metabolite Profiling 656 4.20 Extractables and Leachables 665 4.21 Volatiles in Car Interiors 677 4.22 Azo Dyes in Leather and Textiles 683 4.23 Fast GC of 16 Priority PAHs 691 4.24 Environmental Contaminants in Fish 697 4.25 Fast GC of PCBs 712 4.26 Dioxin Screening in Food and Feed 718 4.27 Confirmation Analysis of Dioxins and Dioxin-like PCBs 730- 4.28 U.S. EPA 1614 Brominated Flame Retardants PBDEs 739 4.29 PBB Analysis by SPME 747 4.30 THC-A in Urine by NCI 751 4.31 Comprehensive Drug Screening and Quantitation 757 4.32 Drugs of Abuse 762 4.33 Structure Elucidation by CI and MS/MS 766 References 770 Glossary 787 Further Reading 858 Author Index 859 Subject Index 861 Compound Index 881

About the Author :
Hans-Joachim Hübschmann, PhD, graduated as Certified Food Chemist from the Technical University in Berlin, Germany. In 2002 he joined Thermo Fisher Scientific in Bremen, Germany, and held different international positions in inorganic and isotope ratio mass spectrometry and high-resolution GC-MS and GC-MS/MS. In 2015 he established the independent consulting agency HANS Analytical Solutions. In his current capacity Hans-Joachim is serving private and industrial laboratories and international analytical instrument companies for green and automated methods development as well as trainings.