Mass Spectrometry Handbook

Mike S. Lee is President of Milestone Development Services where he consults and develops workshops and symposia to support industry with innovative technologies and solutions. His research interests include the application of mass spectrometry for the analysis of proteins, natural products, drug metabolites, impurities, and degradants. Recently, he has been involved in the development of automated orthogonal control systems for electrospray ionization and the development of digital separation devices for sampling, separation, and enrichment.

• FOREWORD xiPREFACE xiiiCONTRIBUTORS xviiSECTION I BIOTECHNOLOGY/PROTEINS 11 Targeted Proteomics Using Immunoaffi nity Purifi cation 3Karen R. Jonscher, Lei Jin, John C. Cambier, Shaikh M. Rahman, and Jacob E. Friedman2 Mass Spectrometry-Based Methods to Investigate Posttranslational Protein Modifi cations by Lipid Peroxidation Products 23Navin Rauniyar and Laszlo Prokai3 Imaging Mass Spectrometry (IMS) for Biological Application 41Yuki Sugiura, Ikuko Yao, and Mitsutoshi Setou4 Methodologies for Identifying Microorganisms and Viruses by Mass Cataloging of RNAs 85George W. Jackson, Rafal Drabek, Mithil Soni, Roger McNichols, Richard C. Willson, and George E. FoxSECTION II PHARMACEUTICAL 1075 Preclinical Pharmacokinetics: Industrial Perspective 109Ayman El-Kattan and Manthena Varma6 LC-MS in Drug Metabolism and Pharmacokinetics: A Pharmaceutical Industry Perspective 119Wenying Jian, Wilson Shou, Richard W. Edom, Naidong Weng, and Mingshe Zhu7 Quantitative Mass Spectrometry in Support of Pharmacokinetic Studies 171Xiaoying Xu, Wenkui Li, and Francis L.S. Tse8 Determination of Pharmacokinetic Parameters by HPLC-MS/MS and UPLC-MS/MS 191Margrét Thorsteinsdóttir, Baldur Bragi Sigurðsson, and Gísli Bragason9 Methods for Screening Enantioselective Interactions in the Solution Phase Using ESI-MS 209Kevin A. Schug10 Hydrogen/Deuterium Exchange Mass Spectrometry (HDX MS) in the Studies of Architecture, Dynamics, and Interactions of Biopharmaceutical Products 227Igor A. Kaltashov, Cedric E. Bobst, and Rinat R. Abzalimov11 TOF-SIMS Applications to Bioimaging and Biomolecule Evaluation Methods 243Satoka Aoyagi12 Accelerator Mass Spectrometry in Pharmaceutical Development 259Benjamin J. Stewart, Graham Bench, Bruce A. Buchholz, Kurt W. Haack, Michael A. Malfatti, Ted J. Ognibene, and Kenneth W. TurteltaubSECTION III CLINICAL ANALYSIS 27113 Mass Spectrometry in Clinical Analysis: Screening for Inborn Errors in Metabolism 273Donald H. Chace14 Mass Spectrometry for Steroid Analysis 297William J. Griffi ths, Michael Ogundare, Anna Meljon, and Yuqin WangSECTION IV FORENSICS 33915 Forensic Applications of Isotope Ratio Mass Spectrometry 341Sarah J. Benson16 Analysis of Triacetone Triperoxide Explosive by Mass Spectrometry 373Michael E. Sigman and C. Douglas ClarkSECTION V SPACE EXPLORATION 38917 Mass Spectrometry in Solar System Exploration 391Paul V. Johnson, Luther W. Beegle, and Isik Kanik18 Application of GC × GC–TOFMS to the Characterization of Extraterrestrial Organic Matter 407Jonathan S. WatsonSECTION VI HOMELAND SECURITY 41719 Methods of Mass Spectrometry in Homeland Security Applications 419Ünige A. Laskay, Erin J. Kaleta, and Vicki H. Wysocki20 Homeland Security 441Christina L. Crawford and Herbert H. Hill, Jr.21 Mass Spectrometry in Homeland Security 477Yasuaki Takada22 Measurements of Surface Contaminants and Sorbed Organics Using an Ion Trap Secondary Ion Mass Spectrometer 491Gary S. Groenewold, Anthony D. Appelhans, Garold L. Gresham, and John E. Olson23 Determination of Actinides: Determination of Low-Concentration Urine Uranium 235/238 Isotope Ratios 509R. Steven PappasSECTION VII FOOD ANALYSIS 52924 Mass Spectrometry in Agriculture, Food, and Flavors: Selected Applications 531Maciej Stobiecki, Piotr Kachlicki, and Henryk Jeleñ25 Top-Down Proteomic Identifi cation of Protein Biomarkers of Food-Borne Pathogens Using MALDI-TOF-TOF-MS/MS 559Clifton K. Fagerquist and Omar SultanSECTION VIII ENVIRONMENTAL 57526 Determination of Dithiocarbamate Fungicides in Food by Hydrophilic Interaction Liquid Chromatography/Mass Spectrometry 577Wolfgang Schwack27 Disinfectant and By-Product Analysis in Water Treatment by Membrane Introduction Mass Spectrometry 593Chongzheng Na and Terese M. Olson28 Proton Transfer Reaction Mass Spectrometry (PTR-MS) 605Yujie Wang, Chengyin Shen, Jianquan Li, Haihe Jiang, and Yannan Chu29 Determination of Chlorinated Compounds in Dialysis Water and in Biological Fluids/Matrices 631Diana PoliSECTION IX GEOLOGICAL 64530 Mass Spectrometry Techniques for Analysis of Oil and Gas Trapped in Fluid Inclusions 647Simon C. George, Herbert Volk, and Adriana Dutkiewicz31 LA-MC-ICP-MS Applied to U-Pb Zircon Geochronology 675Alain Cocherie and Michèle Robert32 Hydrocarbon Processing 707Maoqi Feng, Thomas Andrews, and Eloy Flores III33 Hydrocarbon Processing: MALDI-MS of Polydisperse Hydrocarbon Samples 725Alan A. Herod34 Renewable Energy: Mass Spectrometry in Biofuel Research 749Ingvar Eide and Kolbjørn ZahlsenSECTION X ARCHAEOLOGY 76335 Mass Spectrometry in Archaeology 765Robert Hedges and James McCullagh36 Archaeometric Data from Mass Spectrometric Analysis of Organic Materials: Proteins, Lipids, Terpenoid Resins, Lignocellulosic Polymers, and Dyestuff 797Maria Perla Colombini, Francesca Modugno, and Erika Ribechini37 Laser Ablation ICP-MS in Archaeology 829Hector Neff38 Spatially Resolved MS in the Study of Art and Archaeological Objects 845Giuseppe Spoto39 Laser Ablation–Inductively Coupled Plasma Mass Spectrometry for the Investigation of Archaeological Samples 859Martín Resano, Esperanza García-Ruiz, and Frank VanhaeckeSECTION XI SURFACE ANALYSIS 88540 Mass Spectrometry in Semiconductor Research 887Stefan Flege and Wolfgang Ensinger41 Analysis of Thin and Thick Films 943Philippe Le Coustumer, Patrick Chapon, Agnès Tempez, Yuriy Popov, George Thompson, Igor Molchan, Nicolas Trigoulet, Peter Skeldon, Antonino Licciardello, Nunzio Tuccitto, Ivan Delfanti, Katrin Fuhrer, Marc Gonin, James Whitby, Markus Hohl, Christian Tanner, Nerea Bordel Garcia, Lara Lobo Revilla, Jorge Pisonero, Rosario Pereiro, Cristina Gonzalez Gago, Alfredo Sanz Medel, Mihai Ganciu Petcu, Ani Surmeian, Constantin Diplasu, Andreea Groza, Norbert Jakubowski, Roland Dorka, Stela Canulescu, Johann Michler, Philippe Belenguer, Thomas Nelis, Abdellatif Zahri, Philippe Guillot, Laurent Thérèse, Arnaud Littner, Richard Vaux, Julien Malherbe, Frédéric Huneau, Fred Stevie, and Hugues François-Saint-Cyr42 SIMS for Organic Film Analysis 961Taoufi q Mouhib and Arnaud Delcorte43 Ceramics: Contribution of Secondary Ion MassSpectrometry (SIMS) to the Study of Crystal Chemistry of Mica Minerals 1017Luisa Ottolini, Emanuela Schingaro, and Fernando ScordariSECTION XII POLYMERS 106144 ETV-ICPMS for Analysis of Polymers 1063Maite Aramendía Marzo, Martín Resano, and Frank Vanhaecke45 Polymers 1079Maurizio S. Montaudo and Salvatore Battiato46 Mass Spectroscopy in Polymer Research 1107Jale Hacaloglu and Talat Yalcin47 Laser Mass Spectrometry Applied to the Analysis of Polymers 1135Jérôme Bour and David RuchSECTION XIII ANALYTICAL TECHNIQUES 114348 Measuring Thermodynamic Properties of Metals and Alloys 1145Evan H. Copland and Nathan S. Jacobson49 High-Performance Thin-Layer Chromatography–Mass Spectrometry for Analysis of Small Molecules 1181Gertrud E. Morlock50 Laser Ionization Mass Spectrometry of Inorganic Ions 1207Julius Pavlov and Athula B. Attygalle51 Mass Spectrometry in the SSITKA Studies 1229L.G. Pinaeva, E.M. Sadovskaya, A.P. Suknev, V.B. Goncharov, and B.S. Bal’zhinimaev52 Proton Transfer Reaction Mass Spectrometry: Applications in the Life Sciences 1257Elena Crespo, Marco M.L. Steeghs, Simona M. Cristescu, and Frans J.M. HarrenINDEX 1283

“In summary, this handbook presents research from a variety of areas tied together by the common thread of mass spectrometry. The authors present their works in a manner that is accessible to beginning researchers and include sufficient references to allow in depth exploration of the topic. More seasoned scientists could also benefit from this book as they venture into new areas of research.”  (Journal of American Society for Mass Spectrometry, 6 October 2012)