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 xi PREFACE xiii CONTRIBUTORS xvii SECTION I BIOTECHNOLOGY/PROTEINS 1 1 Targeted Proteomics Using Immunoaffi nity Purifi cation 3 Karen R. Jonscher, Lei Jin, John C. Cambier, Shaikh M. Rahman, and Jacob E. Friedman 2 Mass Spectrometry-Based Methods to Investigate Posttranslational Protein Modifi cations by Lipid Peroxidation Products 23 Navin Rauniyar and Laszlo Prokai 3 Imaging Mass Spectrometry (IMS) for Biological Application 41 Yuki Sugiura, Ikuko Yao, and Mitsutoshi Setou 4 Methodologies for Identifying Microorganisms and Viruses by Mass Cataloging of RNAs 85 George W. Jackson, Rafal Drabek, Mithil Soni, Roger McNichols, Richard C. Willson, and George E. Fox SECTION II PHARMACEUTICAL 107 5 Preclinical Pharmacokinetics: Industrial Perspective 109 Ayman El-Kattan and Manthena Varma 6 LC-MS in Drug Metabolism and Pharmacokinetics: A Pharmaceutical Industry Perspective 119 Wenying Jian, Wilson Shou, Richard W. Edom, Naidong Weng, and Mingshe Zhu 7 Quantitative Mass Spectrometry in Support of Pharmacokinetic Studies 171 Xiaoying Xu, Wenkui Li, and Francis L.S. Tse 8 Determination of Pharmacokinetic Parameters by HPLC-MS/MS and UPLC-MS/MS 191 Margret Thorsteinsdottir, Baldur Bragi Sigurdsson, and Gisli Bragason 9 Methods for Screening Enantioselective Interactions in the Solution Phase Using ESI-MS 209 Kevin A. Schug 10 Hydrogen/Deuterium Exchange Mass Spectrometry (HDX MS) in the Studies of Architecture, Dynamics, and Interactions of Biopharmaceutical Products 227 Igor A. Kaltashov, Cedric E. Bobst, and Rinat R. Abzalimov 11 TOF-SIMS Applications to Bioimaging and Biomolecule Evaluation Methods 243 Satoka Aoyagi 12 Accelerator Mass Spectrometry in Pharmaceutical Development 259 Benjamin J. Stewart, Graham Bench, Bruce A. Buchholz, Kurt W. Haack, Michael A. Malfatti, Ted J. Ognibene, and Kenneth W. Turteltaub SECTION III CLINICAL ANALYSIS 271 13 Mass Spectrometry in Clinical Analysis: Screening for Inborn Errors in Metabolism 273 Donald H. Chace 14 Mass Spectrometry for Steroid Analysis 297 William J. Griffi ths, Michael Ogundare, Anna Meljon, and Yuqin Wang SECTION IV FORENSICS 339 15 Forensic Applications of Isotope Ratio Mass Spectrometry 341 Sarah J. Benson 16 Analysis of Triacetone Triperoxide Explosive by Mass Spectrometry 373 Michael E. Sigman and C. Douglas Clark SECTION V SPACE EXPLORATION 389 17 Mass Spectrometry in Solar System Exploration 391 Paul V. Johnson, Luther W. Beegle, and Isik Kanik 18 Application of GC × GC--TOFMS to the Characterization of Extraterrestrial Organic Matter 407 Jonathan S. Watson SECTION VI HOMELAND SECURITY 417 19 Methods of Mass Spectrometry in Homeland Security Applications 419 Unige A. Laskay, Erin J. Kaleta, and Vicki H. Wysocki 20 Homeland Security 441 Christina L. Crawford and Herbert H. Hill, Jr. 21 Mass Spectrometry in Homeland Security 477 Yasuaki Takada 22 Measurements of Surface Contaminants and Sorbed Organics Using an Ion Trap Secondary Ion Mass Spectrometer 491 Gary S. Groenewold, Anthony D. Appelhans, Garold L. Gresham, and John E. Olson 23 Determination of Actinides: Determination of Low-Concentration Urine Uranium 235/238 Isotope Ratios 509 R. Steven Pappas SECTION VII FOOD ANALYSIS 529 24 Mass Spectrometry in Agriculture, Food, and Flavors: Selected Applications 531 Maciej Stobiecki, Piotr Kachlicki, and Henryk Jele? 25 Top-Down Proteomic Identifi cation of Protein Biomarkers of Food-Borne Pathogens Using MALDI-TOF-TOF-MS/MS 559 Clifton K. Fagerquist and Omar Sultan SECTION VIII ENVIRONMENTAL 575 26 Determination of Dithiocarbamate Fungicides in Food by Hydrophilic Interaction Liquid Chromatography/Mass Spectrometry 577 Wolfgang Schwack 27 Disinfectant and By-Product Analysis in Water Treatment by Membrane Introduction Mass Spectrometry 593 Chongzheng Na and Terese M. Olson 28 Proton Transfer Reaction Mass Spectrometry (PTR-MS) 605 Yujie Wang, Chengyin Shen, Jianquan Li, Haihe Jiang, and Yannan Chu 29 Determination of Chlorinated Compounds in Dialysis Water and in Biological Fluids/Matrices 631 Diana Poli SECTION IX GEOLOGICAL 645 30 Mass Spectrometry Techniques for Analysis of Oil and Gas Trapped in Fluid Inclusions 647 Simon C. George, Herbert Volk, and Adriana Dutkiewicz 31 LA-MC-ICP-MS Applied to U-Pb Zircon Geochronology 675 Alain Cocherie and Michele Robert 32 Hydrocarbon Processing 707 Maoqi Feng, Thomas Andrews, and Eloy Flores III 33 Hydrocarbon Processing: MALDI-MS of Polydisperse Hydrocarbon Samples 725 Alan A. Herod 34 Renewable Energy: Mass Spectrometry in Biofuel Research 749 Ingvar Eide and Kolbjorn Zahlsen SECTION X ARCHAEOLOGY 763 35 Mass Spectrometry in Archaeology 765 Robert Hedges and James McCullagh 36 Archaeometric Data from Mass Spectrometric Analysis of Organic Materials: Proteins, Lipids, Terpenoid Resins, Lignocellulosic Polymers, and Dyestuff 797 Maria Perla Colombini, Francesca Modugno, and Erika Ribechini 37 Laser Ablation ICP-MS in Archaeology 829 Hector Neff 38 Spatially Resolved MS in the Study of Art and Archaeological Objects 845 Giuseppe Spoto 39 Laser Ablation--Inductively Coupled Plasma Mass Spectrometry for the Investigation of Archaeological Samples 859 Martin Resano, Esperanza Garcia-Ruiz, and Frank Vanhaecke SECTION XI SURFACE ANALYSIS 885 40 Mass Spectrometry in Semiconductor Research 887 Stefan Flege and Wolfgang Ensinger 41 Analysis of Thin and Thick Films 943 Philippe Le Coustumer, Patrick Chapon, Agnes 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 Therese, Arnaud Littner, Richard Vaux, Julien Malherbe, Frederic Huneau, Fred Stevie, and Hugues Francois-Saint-Cyr 42 SIMS for Organic Film Analysis 961 Taoufi q Mouhib and Arnaud Delcorte 43 Ceramics: Contribution of Secondary Ion Mass Spectrometry (SIMS) to the Study of Crystal Chemistry of Mica Minerals 1017 Luisa Ottolini, Emanuela Schingaro, and Fernando Scordari SECTION XII POLYMERS 1061 44 ETV-ICPMS for Analysis of Polymers 1063 Maite Aramendia Marzo, Martin Resano, and Frank Vanhaecke 45 Polymers 1079 Maurizio S. Montaudo and Salvatore Battiato 46 Mass Spectroscopy in Polymer Research 1107 Jale Hacaloglu and Talat Yalcin 47 Laser Mass Spectrometry Applied to the Analysis of Polymers 1135 Jerome Bour and David Ruch SECTION XIII ANALYTICAL TECHNIQUES 1143 48 Measuring Thermodynamic Properties of Metals and Alloys 1145 Evan H. Copland and Nathan S. Jacobson 49 High-Performance Thin-Layer Chromatography--Mass Spectrometry for Analysis of Small Molecules 1181 Gertrud E. Morlock 50 Laser Ionization Mass Spectrometry of Inorganic Ions 1207 Julius Pavlov and Athula B. Attygalle 51 Mass Spectrometry in the SSITKA Studies 1229 L.G. Pinaeva, E.M. Sadovskaya, A.P. Suknev, V.B. Goncharov, and B.S. Bal'zhinimaev 52 Proton Transfer Reaction Mass Spectrometry: Applications in the Life Sciences 1257 Elena Crespo, Marco M.L. Steeghs, Simona M. Cristescu, and Frans J.M. Harren INDEX 1283