TUESDAY ORALS The 45th ASMS CONFERENCE ON MASS SPECTROMETRY AND ALLIEDTOPICS Non-Covalent Complexes and Tertiary Structures of Biomolecules 358 June 1-5,1997 Electrospray Fundamentals and Instrumentation 369 Fullerenes 381 385 TABLE OF CONTENTS Pioneers in LC/MS FTMS: Fundamentals and Applications 389 in Combinatorial 400 Forward and Citation Notice iii MS Applications Chemistry 409 ASMS Board of Directors iii Mass Spectrometry of Polymers Program Acknowledgments iv TUESDAY POSTERS Interest Group Coordinators iv Ion Molecules Reactions 421 ASMS Committees iv Ion Source & MS Instrumentation 444 ASMS Awards v Isotope Ratios 479 Discussion vi Local Mass Spectrometry Groups 497 vi Separations/MS Techniques ASMS Corporate Members Polymers 532 TITLES OF EXTENDED ABSTRACTS LISTED BY SESSION vii Clinical and Biomedical MS 556 authors on diskette. 583 Title information appears as it was submitted by Proteins & Peptides/Amino Acid Modifications DNA/RNA Structure & Adducts 630 MONDAY ORALS Spray Ionization - Applications 659 689 & 1 Drug Metabolism- Quantitative Mass Spectrometry in Pharmacology Toxicology 11 Analysis of Biomolecules by Electrospray & MALDI WEDNESDAY ORALS Reactions of Gas Phase Ions 23 New Methods in Biological Mass Spectrometry 31 Award Lecture: Biemann Medal 722 41 High Speed Separation with Mass Spectrometry Electrospray and MALDI of Small Molecules 723 47 LC and Electrophoresis/TOFMS and Related Techniques Emerging Methods for Biomedical Mass Spectrometry 735 52 746 Recent Directions in Forensic Applications Ion Structure and Energetics Field-Portable Mass Spectrometers 57 Oligonucleotides and DNA Sequencing 758 TOF and Tandem TOF 770 MONDAY POSTERS New Developments and Applications of Inorganic Mass Spectrometry. 781 and Petrochemicals 787 - Energy ASMS 'Terms and Definitions" An Opportunity for Participation 63 History of MS Instrumentation 64 WEDNESDAYPOSTERS Fundamental Studies 66 Spray Ionization - Fundamentals 109 Ion Activation and Dissociation 793 827 Trapped Ions: Ion Traps 122 Laser Desorption Fundamentals 857 Separations/MS Techniques 155 Trapped Ions: FT-ICR 886 Environmental Analysis 185 Affinity-Based Separations and Interactions QA/QC 226 Environmental Analysis 910 231 946 Proteins & Peptides/Mapping & Identification Organic 971 DNA/RNA Structure & Adducts 286 Proteins & Peptides: Non-Covalent Interactions 309 1008 Laser Desorption Application Carbohydrates 339 - 1039 Toxicology Laser Desorption Applications - 1058 Drug Metabolism Qualitative THURSDAY ORALS MALDI Design and Fundamentals 1096 New Developments in Quadrupole Ion Trap Mass Spectrometry 1107 Environmental Mass Spectrometry 1119 Carbohydrates and Glycobiology 1127 Mass Spectrometry of DNAAdducts and Interactions 1139 Computer Techniques 1151 Electron Capture MS and Trace Detection 1156 THURSDAY POSTERS Ion Molecules Reactions 1159 Ion Source & MS Instrumentation 1187 Computers 1220 Combinatorial Libraries 1245 Polymers 1267 Clinical & Biomedical MS 1288 Protein & Peptide Sequencing 1316 Lipids, Hormones and Biomarkers 1352 Spray Ionization - Applications 1385 Drug Metabolism 1425 WORKSHOPS AND INTEREST GROUP MEETINGS Analytical Laboratory Managers 1447 History of Mass Spectrometry 1448 Instrumentation Used in Studies of Metal Ion Coordination Chemistry 1449 FTMS 1450 Ion Trap 1451 Quantitation 1452 LC/MS and Related Topics 1453 Surface Science 1454 Elemental 1455 Energy & Petrochemicals 1456 MINUTES OF THE ASMS BUSINESS MEETING 1457 INDEX OF AUTHORS 1460 INDEX OF KEY WORDS 1476 ii ORALS ASMS CORPORATE MEMBERS MONDAY Mass in & Lab Connections PerSeptive Biosystems/Vestec Spectrometry Pharmacology Toxicology Ian Phone (508)480-9777 Phone (800)899-5858 Stephen Naylorand Blair, presiding Linden-Chromasspec Perkin-Elmer Immunochemical Methods for Identifying Protein Adducts of Toxic Reactive Phone 49 421801941 Phone i Lance R National and Blood Institute, (203)761-2908 Metabolites; *Pohl, , Heart, Lung, Bethesda, MD 20892-1760 1 Los Gates Circuits (LGC) Pernicka Corporation ' Analysis of neuropeptides and drugs utilizing in vivo microdialysis/micro- Phone (408)456-0969 Phone (970)224-0220 electrospray mass spectrometry; *Andren, Per, Capnoli, Richard, University of Martek Physical Electronics Texas Medical School, Houston, Texas 2 Phone (410)740-0081 Phone (612)828-6100 Membrane Microtiter Plate Extraction for Automated HPLC/MS Quantitative *Fouda, Hassan, Janiszewski, John, Swyden, Monica, Wells, David, Mass Evolution, Inc. Precision Instruments Analysis; Central Research Pfizer INC CT 06340 3 Phone (281)875-6219 Phone (423)690-5608 Division, , Groton, Pharmacologically Active Eicosanoids Formed from Nonenzymatic Oxidation Mass Spectrometry Svcs. Ltd. Quintiles Scotland i of Red Blood Cell Phospholipids.; "Hall, Lisa, Murphy, Robert, National Jewish Phone 44 1617988611 Research Scientific Services Medical and Research Center, Denver 4 Maxxam Analytics Phone (301)977-9344 The Role of Oxidative Stress in the Pathology of Alzheimer's Disease; *Clarke, J Steve G Phone J Younkin, , (905)890-2555 Nigel , Ohyagi, Yasumasa, Tomlmson, Andy , Naylor, Scientific Glass Engineering Stephen, Mayo Clinic/Foundation, Rochester, MN 55905, USA 5 Merck Research Laboratories Phone (512)837-7190 Metallothionein Induction by Cadmium and Covalent Sequestration of Phone (908)594-4690 Scientific Instrument Services Chlorambucil by Metallothionein in Human Tumor Cells.; *He, Tao, Fabns, Michrom Bio Resources, Inc. Phone (908)788-8000 Daniele, Fenselau, Catherine, University of Maryland Baltimore County, Phone. (916)888-6498 Baltimore, MD 21250 6 Sensar Larson Davis : of GC/MS and LC/MS/MS in Dosimetry of Endogenous and Micro-Tech Scientific, Inc. Phone (801)343-3775 Applications DNA K A, Oe, Phone (408)730-3570 Exogenous Adducts; *Chaudhary, Ajai, , Rouzer, Carol, Shimadzu Scientific instruments J Center for Tomoyuki, Marnett, Lawrence, , Blair, Ian, A, Pharmacology, Micromass Phone (410)381-1227 University of Pennsylvania, Philadelphia 7 Phone (508)524-8200 ' GC-MS Determination of Aromatic Diol Epoxide DNA Shrader Analytical Laboratory Polycyclic Hydrocarbon in Assieh NIST Phone (313)894-4440 and Globin Adducts Humans; 'Melikian, A, Sun, Peng, Coleman, Steven E S The of Minnesota Phone (301)975-2505 Stuart, Waggoner, , Hecht, Stephen , University Electronic Teledyne Technology Cancer Center, Minneapolis, MN 55455 8 New Inc. Phone Objective, (650)940-6704 Identification and Characterization of Steroid Modified DNA and Glutathione Phone (617) 576-2255 Tomtec, Inc. Adducts; *Ramanathan, Ragulan, Cao, Kai, Stack, Douglas, Ercole, Cavahen, PE SCIEX of Chem Box St MO Phone- (203)281-6790 Gross, Michael, Dept , Washington University, 1134, Louis, Phone (650)570-6667 63130 9 Varian Associates A PAH metabolite Binding Subdomain Human Albumin.; Brunmark, Per; Packard Instrument Company Phone (415)424-5848 Paul L Steven R Shantu, Harnman, Shawn, , Tannenbaum, , Amin, Phone (800)323-1891 Skipper, Waters John S Massachusetts Institute of MA 10 "Wishnok, , Technology, Cambridge, Palisade Corporation Phone (508)482-3641 Phone (607)277-8000 Wyeth-Ayerst Research Analysis of Biomolecules by Electrospray & MALDI Phone (732)274-5406 Susan T Wemtraub and Randall Nelson, , presiding 'MALDI on a Chip': Analysis of Arrays of Sub- to Low-Nanoliter DNA and Protein Daniel P J J Samples; *Little, , Cornish, Timothy , Maloney, Maryanne , ' J Inc San CA 11 Cotter, Robert , Koster, Hubert, Sequenom , Diego Bio-ions with Neutral Molecules and from Single Reactions of Multiply-charged High-Speed Sequence Analysis of Unseparated Neuropeptides Jr, Ions in the Paul Trap; 'McLuckey, Scott, Stephenson, *Verhaert, Peter, De Loof Arnold, Oppositely-charged Insects using Nanoflow Q-TOF MS/MS; 26 O'Hair, Richard, Oak Ridge National Laboratory Bordoli, Robert, John, Zoological Institute of the James, Vandesande, Frans, Hoyes, Reaction of Cytochrome C 12 Chiral Recognition in Gas-Phase Deprotonataon Naamsestraat 59, LEUVEN Belgium O M University, Shuinu, Camara, Elvira J , 'Green, Errors and Ions with 1-Amino-2-Propanol; Gong, Top Down Localization of Biomolecule (>20 kDa) Sequence 27 Carlrto B University of California, Davis Neil Guan, Fndnksson, Emar K., Kirk, Lebnlla, , Covalent Modification; *Kelleher, L, Ziqiang, Amides; Tu, Ya- 13 Assistance in the Fragmentation of Protonated P Fred W, Cornell University Anchimeric Robb B Tadhg , McLafferty, 28 , Begley, Nicewonger, G of Toronto, Toronto Ping, Harnson, Alex , University A for de novo Sequence Determination of Peptides by Electrospray Strategy a Radical" with a Spectator Ruedi Is Radical Anion "Phenyl Tandem Mass *Ducret, Axel Figeys, Daniel, Aebersold, Cyclopentadienylidene Spectrometry; Zhao, Jiang, University of 14 'Grabowski, Joseph, Owusu, Daniel, Department of Molecular Biotechnology, University of Washington, Seattle Charge?; 29 Extraction MALDI Peptide Mapping and Database Searching for Pittsburgh Delayed Blackbody Irradiation in an FT-ICR MS; Ole N Study of Activated Species by Protein Identification, 'Jensen, , Podtelejnikov Unambiguous David H LBMS, Department of Chemistry, Texas 15 'Peterman, Scott, Russell, , V Peter, Mann, Matthias, EMBL, Heidelberg 30 Alexandre , Mortensen, TX Interaction A&M University, College Station, Interfacing Surface Plasmon Resonance-based Biomolecular R Analysis with MALDI Mass Spectrometry; 'Krone, Jennifer , Nelson, Inc 16 New Methods in Biological Mass Spectrometry Randall W, Jansson, Osten, Granzow, Russ, Intnnsic BioProbes, Tempe Viruses Time-Of- Fred Abramson and Terry Farmer, presiding Mass Measurements