Mass Spectrometry Handbook

Enables readers to select and implement the most effectivemass spectrometry methods

For decades, mass spectrometry has been the dominant force inanalytical chemistry, offering unparalleled levels of sensitivityand selectivity for trace analysis and an impressive range ofapplications across numerous research disciplines. Now in oneexpertly written, edited, and organized reference, the MassSpectrometry Handbook brings together the best tested and provenmass spectrometry methods available.

The Handbook provides a unique reference that allows foreasy access to a variety of real–world applications that involvemass spectrometry. Each chapter in the Handbook provides essentialbackground and history, detailed analytical methodology, andvaluable references. Readers will obtain a step–by–step guidethrough the most popular and effective methods for eachapplication. The exciting applications starting with lifesciences and culminating with specialized analyticaltechniques are featured:

Biotechnology/Proteins

Environmental

Pharmaceutical

Geological

Clinical Analysis

Archaeology

Forensics

Surface Analysis

Space Exploration

Polymers

Homeland Security

Analytical Techniques

Food Analysis

Each chapter has been written by one or more leadinginternational experts in the field of mass spectrometry. Theseauthors have thoroughly examined the current literature in order topresent the state of the technology. Moreover, based on their ownfirsthand laboratory experience, they explain why particularmethods work or don′t work for particular research objectives.References at the end of each chapter serve as a gateway to themost important studies in the field.

With its tremendous breadth and depth of coverage, the MassSpectrometry Handbook is an excellent resource for practicing massspectrometrists as well as for novices who want to quickly masterthe many applications and methods of mass spectrometry.

FOREWORD xi

PREFACE xiii

CONTRIBUTORS xvii

SECTION I BIOTECHNOLOGY/PROTEINS 1

1 Targeted Proteomics Using Immunoaffi nity Purifi cation3
Karen R. Jonscher, Lei Jin, John C. Cambier, Shaikh M. Rahman,and Jacob E. Friedman

2 Mass Spectrometry–Based Methods to InvestigatePosttranslational Protein Modifi cations by Lipid PeroxidationProducts 23
Navin Rauniyar and Laszlo Prokai

3 Imaging Mass Spectrometry (IMS) for Biological Application41
Yuki Sugiura, Ikuko Yao, and Mitsutoshi Setou

4 Methodologies for Identifying Microorganisms and Viruses byMass 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: APharmaceutical Industry Perspective 119
Wenying Jian, Wilson Shou, Richard W. Edom, Naidong Weng, andMingshe Zhu

7 Quantitative Mass Spectrometry in Support of PharmacokineticStudies 171
Xiaoying Xu, Wenkui Li, and Francis L.S. Tse

8 Determination of Pharmacokinetic Parameters by HPLC–MS/MS andUPLC–MS/MS 191
Margrét Thorsteinsdóttir, Baldur BragiSigurðsson, and Gísli Bragason

9 Methods for Screening Enantioselective Interactions in theSolution Phase Using ESI–MS 209
Kevin A. Schug

10 Hydrogen/Deuterium Exchange Mass Spectrometry (HDX MS) in theStudies of Architecture, Dynamics, and Interactions ofBiopharmaceutical Products 227
Igor A. Kaltashov, Cedric E. Bobst, and Rinat R.Abzalimov

11 TOF–SIMS Applications to Bioimaging and BiomoleculeEvaluation Methods 243
Satoka Aoyagi

12 Accelerator Mass Spectrometry in Pharmaceutical Development259
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 InbornErrors in Metabolism 273
Donald H. Chace

14 Mass Spectrometry for Steroid Analysis 297
William J. Griffi ths, Michael Ogundare, Anna Meljon, and YuqinWang

SECTION IV FORENSICS 339

15 Forensic Applications of Isotope Ratio Mass Spectrometry341
Sarah J. Benson

16 Analysis of Triacetone Triperoxide Explosive by MassSpectrometry 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 theCharacterization of Extraterrestrial Organic Matter 407
Jonathan S. Watson

SECTION VI HOMELAND SECURITY 417

19 Methods of Mass Spectrometry in Homeland SecurityApplications 419
Ünige 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 OrganicsUsing an Ion Trap Secondary Ion Mass Spectrometer 491
Gary S. Groenewold, Anthony D. Appelhans, Garold L. Gresham, andJohn E. Olson

23 Determination of Actinides: Determination ofLow–Concentration Urine Uranium 235/238 Isotope Ratios 509
R. Steven Pappas

SECTION VII FOOD ANALYSIS 529

24 Mass Spectrometry in Agriculture, Food, and Flavors: SelectedApplications 531
Maciej Stobiecki, Piotr Kachlicki, and Henryk Jeleñ

25 Top–Down Proteomic Identifi cation of Protein Biomarkers ofFood–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 byHydrophilic Interaction Liquid Chromatography/Mass Spectrometry577
Wolfgang Schwack

27 Disinfectant and By–Product Analysis in Water Treatment byMembrane 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 YannanChu

29 Determination of Chlorinated Compounds in Dialysis Water andin Biological Fluids/Matrices 631
Diana Poli

SECTION IX GEOLOGICAL 645

30 Mass Spectrometry Techniques for Analysis of Oil and GasTrapped 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 Michèle Robert

32 Hydrocarbon Processing 707
Maoqi Feng, Thomas Andrews, and Eloy Flores III

33 Hydrocarbon Processing: MALDI–MS of Polydisperse HydrocarbonSamples 725
Alan A. Herod

34 Renewable Energy: Mass Spectrometry in Biofuel Research749
Ingvar Eide and Kolbjørn Zahlsen

SECTION X ARCHAEOLOGY 763

35 Mass Spectrometry in Archaeology 765
Robert Hedges and James McCullagh

36 Archaeometric Data from Mass Spectrometric Analysis ofOrganic Materials: Proteins, Lipids, Terpenoid Resins,Lignocellulosic Polymers, and Dyestuff 797
Maria Perla Colombini, Francesca Modugno, and ErikaRibechini

37 Laser Ablation ICP–MS in Archaeology 829
Hector Neff

38 Spatially Resolved MS in the Study of Art and ArchaeologicalObjects 845
Giuseppe Spoto

39 Laser Ablation Inductively Coupled Plasma MassSpectrometry for the Investigation of Archaeological Samples859
Martín Resano, Esperanza García–Ruiz, and FrankVanhaecke

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, Agnès Tempez, YuriyPopov, George Thompson, Igor Molchan, Nicolas Trigoulet, PeterSkeldon, Antonino Licciardello, Nunzio Tuccitto, Ivan Delfanti,Katrin Fuhrer, Marc Gonin, James Whitby, Markus Hohl, ChristianTanner, Nerea Bordel Garcia, Lara Lobo Revilla, Jorge Pisonero,Rosario Pereiro, Cristina Gonzalez Gago, Alfredo Sanz Medel, MihaiGanciu Petcu, Ani Surmeian, Constantin Diplasu, Andreea Groza,Norbert Jakubowski, Roland Dorka, Stela Canulescu, Johann Michler,Philippe Belenguer, Thomas Nelis, Abdellatif Zahri, PhilippeGuillot, Laurent Thérèse, Arnaud Littner, Richard Vaux,Julien Malherbe, Frédéric Huneau, Fred Stevie, and HuguesFrançois–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 MicaMinerals 1017
Luisa Ottolini, Emanuela Schingaro, and FernandoScordari

SECTION XII POLYMERS 1061

44 ETV–ICPMS for Analysis of Polymers 1063
Maite Aramendía Marzo, Martín Resano, and FrankVanhaecke

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 Polymers1135
Jérôme Bour and David Ruch

SECTION XIII ANALYTICAL TECHNIQUES 1143

48 Measuring Thermodynamic Properties of Metals and Alloys1145
Evan H. Copland and Nathan S. Jacobson

49 High–Performance Thin–Layer Chromatography MassSpectrometry for Analysis of Small Molecules 1181
Gertrud E. Morlock

50 Laser Ionization Mass Spectrometry of Inorganic Ions1207
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, andB.S. Bal zhinimaev

52 Proton Transfer Reaction Mass Spectrometry: Applications inthe Life Sciences 1257
Elena Crespo, Marco M.L. Steeghs, Simona M. Cristescu, and FransJ.M. Harren

INDEX 1283

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.

In summary, this handbook presents research from avariety of areas tied together by the common thread of massspectrometry. The authors present their works in a manner that isaccessible to beginning researchers and include sufficientreferences to allow in depth exploration of the topic. Moreseasoned scientists could also benefit from this book as theyventure into new areas of research.   (Journal ofAmerican Society for Mass Spectrometry, 6 October 2012)