ASMS Conference on Mass Spectrometry and Allied Topics
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X 00 as*03 0> AS AJ Proceedings CD The 46th ASMS Conference on Mass Spectrometry and Allied Topics May 31-June 4,1998 Orlando, Florida The 46* ASMS CONFERENCE ON TUESDAY ORALS MASS SPECTROMETRY AND ALLIED TOPICS Non-Covalent Interactions & Tertiary Structures of Biomolecues 379 May 31 - June 4,1998 Glycobiology 391 Ion Structures & Energetics 403 TABLE OF CONTENTS Mass Spectrometry in a DNA World 411 Electrospray Fundamentals & Instrumentation 423 Foreword and Citation Notice n Miniaturizing Mass Spectrometers 434 ASMS Board of Directors in Micro Sample Preparation Methods 436 Program Acknowledgments m Interest Group Coordinators iv TUESDAY POSTERS ASMS Committees iv Fundamental Studies I 441 ASMS Awards iv Trapped Ions 470 ASMS Corporate Members v LC/MS (Separations) 520 TITLES OF EXTENDED ABSTRACTS LISTED BY SESSION vil Proteins & Peptides II 585 Title information appears as it was submitted by authors on diskette Lipids Hormones and Biomarkers 644 Separabons/MALDI 672 MONDAY ORALS Drug Metabolism Qualitative 683 Environmental II 725 Analysis of Biomolecules by Electrospray & MALDI 1 Applications Ionization - 659 MS in Pharmacology and Toxicology 12 Spray Applications Reactions of Gas Phase Ions 22 Drug Metabolism - Quantitative 689 Innovations in TOF & Hybnd TOF Instrumentation 33 WEDNESDAY ORALS FTMS Fundamentals and kApplications 44 New Developments & Applications of Inorganic Mass Spectrometry 54 Emerging Methods in Biological Mass Spectrometry 757 Isotope Ratio & Elemental Mass Spectrometry 59 Electrospray and MALDI of Small Molecules 768 Coming of Age Twenty-one Years of the Kinetic Method 780 MONDAY POSTERS MALDI Design and Fundamentals 790 MALDI at Other 796 Special Posters 64 Wavelengths MS of DNA Adducts & Ion Activation and Dissociation 67 Interactions 802 and Petrochemicals 810 Computer Applications 110 Energy Automation & Methods 815 Spray Ionization - Fundamentals 131 Computer Laser Desorption Applications I 154 WEDNESDAY POSTERS Proteins & Peptides I 183 DNA & RNA Structures and Adducts 243 Ion-Molecule Reactions 820 Clinical Applications I 283 MS Instrumentation Ion Sources 880 C |i Isotope Ratios Inorganic and Elemental Analysis 323 Laser Desorption (Fundamentals) 919 |°° 3 QA/QC Process Monitoring 334 Proteins and Peptides 111 942 §-& ^ Environmental Analyses I 339 Laser Desorption (Applications) 998 Combinatorial Chemistry 1028 Polymers Surfactants and Petrochemicals 1052 Clinical Applications 1090 Toxicology 1121 THURSDAY ORALS FOREWORD Mass Spectrometry & Combinatonal Chemistry 1139 Innovations in Methods Combined with MS 1150 This Separations volume represents the official record of the annual meeting and is designated as the Pro¬ Environmental Mass Spectrometry 1162 ceedings of the 46th ASMS Conference on Mass Spectrometry and Allied Topics. New Developments in Quadrupole Ion Trap Mass Spectrometry 1172 Mass of 1184 The - Spectrometry Polymers 1998 ASMS Conference was held May 31 June 4, 1998 at the Marriott World Center, Or¬ Mass in Forensics 1195 Flonda. Spectrometry lando, The total number of conference attendees was 2,975 A total of 1,382 posters Mass Spectrometry Detection & Identification of 1201 and 279 oral Microorganisms presentations were given, including four tutorial and four plenary lectures. The included the of the highlights presentation 1998 ASMS Award for Distinguished Contribution in THURSDAY POSTERS Mass Spectrometry jointly to Professor Don C McGilvery of Monash University and Dr David A. Dahl of Idaho National and Environmental Fundamental Studies II 1206 Engineering Laboratory, for the development of the ion MS Instrumentation: SIMION optics design and analysis programs. The 1998 Biemann Medal was presented to Mass Analyzers . .. 1233 Professor Robert R. from Purdue for the of CE Separations with MS 1266 Squires University ingenious application mass spec¬ trometry to the characterization of reactive and intermediates The 1998 Affinity-Based Separations 1287 organic organometallic Research Awards were to Proteins & Peptides IV. 1301 Young Investigator presented Professor Patnck A Limbach of Lou¬ isiana State Professor Wood of Carbohydrates 1363 University (sponsored by Finnigan Corporation), Troy State Uni¬ versity of New York Exxon Education Professor Paul G Spray Ionization (Applications) 1388 (sponsored by Foundation), Wenthold of Texas Tech ASMS and Drug Metabolism (Quantitative) 1422 University (sponsored by Analytica of Branford), Professor George of Simon Fraser PE Separation Methods- GC 1464 Agnes University (sponsored by Sciex), and Professor Mary Theresa Rodgers of State Organic Analysis 1476 Wayne University (sponsored by Micromass) thanks are to Bob WORKSHOPSAND INTEREST GROUP MEETINGS Special given Cotter, Vice-President for Programs, for arranging an excellent and inspiring scientific program, and to Judith A Sjoberg, Cindi Lilly, and the staff of Profes¬ Ion Trap MS 1502 sional Association Management, for coordinating the printing and distribution of the Proceed¬ Surface Science 1503 ings Young Mass Spectrometrists 1504 Metal Ion Coordination 1505 Hilkka I. Kenttamaaa Ionization Desorption 1506 ASMS Board of Directors LC/MS 1507 Member-at-Large (Publications) Analytical Laboratory Managers 1508 History 1509 FTMS 1510 CITATION NOTICE TOF-MS 1511 Fundamentals 1512 This volume contains the Energy and Petrochemicals 1513 extended abstracts of papers presented at the 46lh ASMS Conference on Mass and Allied Quantitation 1514 Spectrometry Topics The material is not copyrighted and appearance of material in this volume does not Biomedical Applications 1515 jeopardize the author's right to publish the information in scien¬ tific journals. MINUTES OF THE ASMS BUSINESS MEETING 1516 Reference to individual abstracts contained in this volume should be cited as follows: of the 46* INDEX OF AUTHORS 1517 Authorfs), Title, Proceedings ASMS Conference on Mass Spectrometry and Allied Topics, Orlando, Florida, May 31 - June 4, 1998. INDEX OF KEY WORDS 1532 MONDAY ORALS MS IN PHARMACOLOGY AND TOXICOLOGY WalterA. Korfmacher, presiding ANALYSIS OF BIOMOLECULES BY ELECTROSPRAY & MALDI Birenda Pramanik and Joseph Zaia, presiding Large Scale Quantitative Analysis of Pharmaceuticals via LC-MS and LC-MS/MS Ion Trap Mass Specrometry; Cole, Mark; *Cunniff, Jack; Drexler, Dieter; Land, interactions and fibril formation studied ESI MS; Nettleton, Protein amyloid by Adrian; Pfizer Pharmaceuticals, Groton CT 12 Ewan; Sunde, Margaret; 'Robinson, Carol; Oxford Center for Molecular Sciences 1 Evaluation of a novel API ion source for the high throughput determination of Nano-ESI and MS"-Structure Elucidation of Neutral Underivatized drugs directly from cell culture media for in-vitro studies., Vayer, Philippe; Castro Oligosaccharides and Glycosides; *Karas, Michael; Bahr, Ute; Schubert-Z., Jose Bertrand Perez, Miguel, McDowall, Mark; 'Preece, Steve; , Marc; Technologie Division of Instrumental 2 Manfred; Jurenitsch, J.; Analytical Chemistry Servier, Department of Drug Metabolism 13 between metallothionein and DNA zinc Metal ion transfer binding finger peptides Simultaneous Analysis of Multiple Drug Mixtures for the Quantitation of In-Vitro Fenselau, Catherine, Structural probed by ESI-MS; 'Hathout, Yetrib; Fabris, Dan; Permeability Through the Caco-2 Model Utilizing LC/MS/MS; *Bulgarelli, James Baltimore 3 Biochemistry Center, University of Maryland County P.; Michael, Steven M.; The DuPont Merck Pharmaceutical Company, Wilmington, DE 14 identification of from human platelets by 2D-polyacrylamide gel phosphoproteins In vitro drug-drug interaction examined by mass spectrometry; 'Chen, Jinchang, and Dorian; Presek, Peter, electrophoresis nanospray ESI-MS/MS; 'Immler, Meyer, Sanchez, Rosa I.; Huskey, Su-Er W.; Karanam, Bindhu V.; Hop, Cornelius E.C.A.; Ruhr-Universitaet 4 Helmut E.; Inst. f. Physiol Chemie I, Bochum, Germany Merck Research Laboratones, Rahway 15 "Krone, Jennifer, R.; Immunoaffinity-Based Quantitative Electrospray Assays, Increasing the Throughput of Microsomal Stability Screening Using Fast Gradient Matthew Lovelace Nelson, Randall, W., Dahl, Alan R.; McLean, A., Respiratory Elution LC/MS; *Ackermann, Bradley; Ruterbories, Kenneth; Hanssen, Brenda; 5 Research Institute Lindstrom, Terry, Lilly Research Laboratories, Eli Lilly and Co., Indianapolis, IN 16 of Disulfide Bond Is Possible in Proteins Assignment Connectivity Containing LC/MS Based Structure Profile Libraries Impact on the Drug-Discovery Continuum, Adjacent Cysteines by Using Cyanylation/Cleavage/Mass Mapping; Yang, Ying; *Rourick, Robyn, A., Fink, Saul, W.; Volk, Kevin, J.; Whitney, Jeffrey, L; Klohr, Steve, Jack Throck; State University 6 Wu, Jiang; *Watson, Michigan E., Kerns, Edward, H.; Lee, Mike, S ; Bristol-Myers Squibb Pharmaceutical Research in Plasma Induced Mass Effects, Polymorphism Apolipoproteins by Spectrometric Institute, Wallingford 17 Texas A&M of Bondarenko, Pavel; *Macfarlane, Ronald; University, Department Metabolism of tirilazad mesylate in humans: Application of stable isotopic Station, TX Chemistry, College labelling and a novel bile cannulation technique in human volunteers; Steenwyk, MALDI-MS of Nucleic Finn, Infrared Large Acids; *Berkenkamp, Stefan; Kirpekar, Rick C; Pearson, Paul G.; "Vrbanac, J. James; Pharmacia and Upjohn, Inc 18 of Hillenkamp, Franz, Institute for Med. Physics and Biophysics, University Muenster, Identification of In Vitro Metabolites by "Intelligent Automated LC-MS/MS" 7 Germany (INTAMS) Utilizing the Finnigan TSQ 7000; Yu, Xiao, Cui, Donghui; "Davis, MALDI of Strategies for