49” ASMS Conference on Mass Spectrometry These special ...

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49” ASMS Conference on Mass Spectrometry These special posters will be displayed Monday - Thursday MPA 012 Special Ion Chemistry “Down Under” : A History of Mass Spectrometry in Australia and New Zealand; Kevin M. Downard’; ANZSMS Communit$; ‘University of SJ&ev, MPA 013 Sydney, Australia Special An Annotated Bibliography of Guidelines Proposed for Mass Spectral Method Performance; Robert Bethem’; Jane Gale3; David Heller’; Steven Musser’; Phil Price4; Stephen Stein’; ‘Food and Drug Administration, MPA 014 Washington, DC; 2Alta Analytical Laboratory, El Dorado Hills, CA; ‘Bristol-Myers Squibb, New Brunswick, NJ; “Union Carbide, S Charleston, WV; ‘NIST, Gaithersburg, MD MPA 015 MONDAY POSTERS Monday posters will be set up 7:30 - 8:00 am on Monday morning. Presenters of odd numbered posters (001, 003, 005, etc) will attend their posters 8:45 - IO:15 am on Monday. Presenters of even numbered MPA 016 posters (002, 004, 006, etc) will attend their posters 1:30 - 3:00 pm. Posters should be removed 7:30 - 8:00 pm on Monday evening. MPA 017 INSTRUMENTATION, 001 - 030 MPA 001 Low Energv SID and High Enerav CID MS/MS MPA 002 MPA 003 MPA 004 MPA 005 MPA 006 MPA 007 MPA 008 MPA 009 MPA 010 MPAOll Experiment%in a Hybrid Se&r-TOF Estrument; m Somoavi; Darrin L. Smith; Eugene N. Nikolaev; Vi&i H. Wysocki; University of Arizona, Tucson, AZ Tandem Mass Spectrometry With a Dual Trap TOF-MS; Yang Wang; Melvin Park, Ulrich Giessmamr; Bruker Daltonics, Inc., Billerica, MA Single Scan MS/MS in MALDI-TOF; Aurelio La Rotta’; Armin E. Holle’; Franz Hillenkamp2; ‘Bruker Daltonik GmbH, Bremen, Germany; 21nstitut fur Med. Physik und Biophysik, Miinster, Germany Parametric Evaluation of the QqTOF oMALD1 Ion Source; George Scott; Jian Zhao; AB MDS Sciex, Concord, ON, Canada Parameters Affecting Mass Resolution in a MALDI Quadrupole Ion Trap Time-of-Flight Mass Spectrometer; Emmanuel Raotakis; Koichi Tanaka; Kratos Analytical Ltd, Manchester, UK Performance Benefits of a Quadrupole Ion Trap, TOFMS (QitTof); Mark A. Hannina-Lee; Karl A. Hanold; Matthew D. Evans; Jack A. Syage; Syagen Technology, Inc., Tustin, CA Extending the Dynamic Range of an Orthogonal Time of Flight (oa-TOF) Mass Spectrometer, for Quantitation and Exact Mass Measurement; Martin R. Green; Michael Jackson; John Hoyes; Robert H. Bateman; Anthony Newton; Micromass UK Ltd, Manchester, UK Enhanced Product Ion Sensitivity in a QqTOF for Protein Identification; Bruce A. Thomson; Chris M. Lock; Igor V. Chemushevich; Applied Biosystems/MDS SCIEX Concord Canada Combining Mass Correlated Acceleration and a Curved Field Reflectron; Andrew R. Bowdler’; Robert J. Cotte?; Slava V. Kovtoun2; ‘Kratos Analytical Ltd, Manchester, UK; 2Johns Hopkins University, Baltimore, MD Focusing Properties of a Harmonic Field Ion Reflectron; Mark Mills; Victor C. Parr; Steve P. Thompson; Scientific Analysis Instruments, Manchester, England Design Principles and First Application of a Three- Element Non-Linear Ion Mirror in an Orthogonal Acceleration Time-of-Flight Mass Spectrometer; Christie G. Enke; Jun Zhang; The University of New Mexico, Albuquerque, NM MPA 018 MPA 019 MPA 020 MPA 021 MPA 022 MPA 023 MPA 024 MPA 025 MPA 026 MPA 027 17s Field-Portable, High-Speed GC/TOFMS; Brian J. Nies; Matthew D. Evans; Karl A. Hanold; Jack A. Syage; Syagen Technology, Inc., Tustin, CA Miniaturized EIIQloa TOF Mass Spectrometer Coupled to an Air Monitoring System; Vadvm Berkout’; Don Segers’; Robert Cotter’; I The Johns Hopkins University, Baltimore, MD; 20.1.Analytical, CMS Field Products, Pelham, AL Miniaturized Linear Time-of-Flight Mass Spectrometer with Delayed Extraction; Slava V. Kovtoun; Maria C. Prieto; Robert J. Cotter; Johns Hopkins University, Baltimore, MD The Development of Mechanically Robust Microchannel Plates for Mass Spectrometry; Herman J. Boealin’; Kiki H. Hosea’; Rudy G. Be&; Randy L. Lundberg’; Nelson Devoe’; ‘K and M Electronics, Inc., West Springfied, MA; ‘ITT Industries Night Vision, Roanoke, VA Taming the Jitter in a Discrete Dynode TOF Detector; Dick Stresau; Kevin L. Hunter; Wayne Sheils; ETP Electron Multipliers, Ermington, NSW, Australia A New Hybrid Detector for TOF-MS Combines an MCP with a Fast Discrete Dynode Detector to Realize New Performance Levels; Kevin L. Hunter; Wayne Sheils; Dick Stresau; ETP Electron Multipliers, Ermington, NSW, Australia Use of On-line Image Processing to Study the Homogeneity of the Gain and to Improve a Linear Response of the Microchannel Plate Imaging Detector; Eugene Moskovets; Barnett Institute, Boston, MA The Development of an Ultra-Fast Microchannel Plate Detector for Time of Flight Mass Spectrometry; Bruce N. Laurade; Raymond Co&ran; Ronald Stancher; Burle Electra-Optics INC, Sturbridge, MA Construction of the New Multi-Turn Time-of-Flight Mass Spectrometer ‘MULTUM II’; Michisato Tovoda’; Daisuke Okumura’; Morio Ishihara’; Itsuo Katakuse’; Fumio Kunihiro*; Masao Shimizu2; ‘Osaka University, Toyonaka, Japan; 2JEOL Ltd., Akishima, Japan Automated Exact Mass Measurement Using Coaxial Multiple Passing Time of Flight Mass Spectrometry; China Wu; Thomas A. Dresch; Ulrich P. Giessmann; Melvin A Park; Bruker Daltonics Inc., Billerica, MA The Methods of Analysis of Solids by Laser TOF Mass- Spectrometer LAMAS-1OM; Griaori B. Kouznetsov; Sergey S. Poteshin; Alexandr A. Sysoev; Moscow Engineering Physics Institute, Moscow, Russia TOF for Monitoring of Fast Processes; Katrin Fuhrer’; Marc Gonin’; Michael I. McCully’; Thomas Egan’; Steven R. Ulrich’; Val W. Vaughn’; William D. Burton Jr. i; John A. Schultz]; Kent Gillig*; David H. Russel12; ‘Ionwerks Inc., Houston, TX; 2Texas A&M University, College Station, TX Sensitivity Improvement by 2-3 Orders of Magnitude and Significantly Raised Sample Throughput, Even Under Inert Conditions by In Source Liquid Injection FD; H. Bernard Linden; Linden CMS GmbH, Leeste, Germany Development and Characterization of a Radio-Frequency Glow Discharge Time-of-Flight Mass Spectrometer for Polymer Analysis; Brad Kninnel; R. Kenneth Marcus; Clemson University Clemson, SC Analysis of Aerosol Samples Using a Bio-Collector and Py-MAB-TOF; Pascal Martin’; Claude Beaugrand*; *Dephy Technologies, Montreal, QC, Canada; 2MGP Instrument, Lamanon, France Considerations for Accurate Simulations of Fon Trajectories with SIMION 3D in an Inductively Coupled Plasma-Time-of-Flight Mass Spectrometer (ICP-

Transcript of 49” ASMS Conference on Mass Spectrometry These special ...

49” ASMS Conference on Mass Spectrometry

These special posters will be displayed Monday - Thursday MPA 012

Special Ion Chemistry “Down Under” : A History of Mass Spectrometry in Australia and New Zealand; Kevin M. Downard’; ANZSMS Communit$; ‘University of SJ&ev, MPA 013

Sydney, Australia Special An Annotated Bibliography of Guidelines Proposed for

Mass Spectral Method Performance; Robert Bethem’; Jane Gale3; David Heller’; Steven Musser’; Phil Price4; Stephen Stein’; ‘Food and Drug Administration, MPA 014

Washington, DC; 2Alta Analytical Laboratory, El Dorado Hills, CA; ‘Bristol-Myers Squibb, New Brunswick, NJ; “Union Carbide, S Charleston, WV; ‘NIST, Gaithersburg, MD MPA 015

MONDAY POSTERS Monday posters will be set up 7:30 - 8:00 am on Monday morning. Presenters of odd numbered posters (001, 003, 005, etc) will attend their posters 8:45 - IO:15 am on Monday. Presenters of even numbered MPA 016

posters (002, 004, 006, etc) will attend their posters 1:30 - 3:00 pm. Posters should be removed 7:30 - 8:00 pm on Monday evening.

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INSTRUMENTATION, 001 - 030

MPA 001 Low Energv SID and High Enerav CID MS/MS

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Experiment%in a Hybrid Se&r-TOF Estrument; m Somoavi; Darrin L. Smith; Eugene N. Nikolaev; Vi&i H. Wysocki; University of Arizona, Tucson, AZ Tandem Mass Spectrometry With a Dual Trap TOF-MS; Yang Wang; Melvin Park, Ulrich Giessmamr; Bruker Daltonics, Inc., Billerica, MA Single Scan MS/MS in MALDI-TOF; Aurelio La Rotta’; Armin E. Holle’; Franz Hillenkamp2; ‘Bruker Daltonik GmbH, Bremen, Germany; 21nstitut fur Med. Physik und Biophysik, Miinster, Germany Parametric Evaluation of the QqTOF oMALD1 Ion Source; George Scott; Jian Zhao; AB MDS Sciex, Concord, ON, Canada Parameters Affecting Mass Resolution in a MALDI Quadrupole Ion Trap Time-of-Flight Mass Spectrometer; Emmanuel Raotakis; Koichi Tanaka; Kratos Analytical Ltd, Manchester, UK Performance Benefits of a Quadrupole Ion Trap, TOFMS (QitTof); Mark A. Hannina-Lee; Karl A. Hanold; Matthew D. Evans; Jack A. Syage; Syagen Technology, Inc., Tustin, CA Extending the Dynamic Range of an Orthogonal Time of Flight (oa-TOF) Mass Spectrometer, for Quantitation and Exact Mass Measurement; Martin R. Green; Michael Jackson; John Hoyes; Robert H. Bateman; Anthony Newton; Micromass UK Ltd, Manchester, UK Enhanced Product Ion Sensitivity in a QqTOF for Protein Identification; Bruce A. Thomson; Chris M. Lock; Igor V. Chemushevich; Applied Biosystems/MDS SCIEX Concord Canada Combining Mass Correlated Acceleration and a Curved Field Reflectron; Andrew R. Bowdler’; Robert J. Cotte?; Slava V. Kovtoun2; ‘Kratos Analytical Ltd, Manchester, UK; 2Johns Hopkins University, Baltimore, MD Focusing Properties of a Harmonic Field Ion Reflectron; Mark Mills; Victor C. Parr; Steve P. Thompson; Scientific Analysis Instruments, Manchester, England Design Principles and First Application of a Three- Element Non-Linear Ion Mirror in an Orthogonal Acceleration Time-of-Flight Mass Spectrometer; Christie G. Enke; Jun Zhang; The University of New Mexico, Albuquerque, NM

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Field-Portable, High-Speed GC/TOFMS; Brian J. Nies; Matthew D. Evans; Karl A. Hanold; Jack A. Syage; Syagen Technology, Inc., Tustin, CA Miniaturized EIIQloa TOF Mass Spectrometer Coupled to an Air Monitoring System; Vadvm Berkout’; Don Segers’; Robert Cotter’; I The Johns Hopkins University, Baltimore, MD; 20.1.Analytical, CMS Field Products, Pelham, AL Miniaturized Linear Time-of-Flight Mass Spectrometer with Delayed Extraction; Slava V. Kovtoun; Maria C. Prieto; Robert J. Cotter; Johns Hopkins University, Baltimore, MD The Development of Mechanically Robust Microchannel Plates for Mass Spectrometry; Herman J. Boealin’; Kiki H. Hosea’; Rudy G. Be&; Randy L. Lundberg’; Nelson Devoe’; ‘K and M Electronics, Inc., West Springfied, MA; ‘ITT Industries Night Vision, Roanoke, VA Taming the Jitter in a Discrete Dynode TOF Detector; Dick Stresau; Kevin L. Hunter; Wayne Sheils; ETP Electron Multipliers, Ermington, NSW, Australia A New Hybrid Detector for TOF-MS Combines an MCP with a Fast Discrete Dynode Detector to Realize New Performance Levels; Kevin L. Hunter; Wayne Sheils; Dick Stresau; ETP Electron Multipliers, Ermington, NSW, Australia Use of On-line Image Processing to Study the Homogeneity of the Gain and to Improve a Linear Response of the Microchannel Plate Imaging Detector; Eugene Moskovets; Barnett Institute, Boston, MA The Development of an Ultra-Fast Microchannel Plate Detector for Time of Flight Mass Spectrometry; Bruce N. Laurade; Raymond Co&ran; Ronald Stancher; Burle Electra-Optics INC, Sturbridge, MA Construction of the New Multi-Turn Time-of-Flight Mass Spectrometer ‘MULTUM II’; Michisato Tovoda’; Daisuke Okumura’; Morio Ishihara’; Itsuo Katakuse’; Fumio Kunihiro*; Masao Shimizu2; ‘Osaka University, Toyonaka, Japan; 2JEOL Ltd., Akishima, Japan Automated Exact Mass Measurement Using Coaxial Multiple Passing Time of Flight Mass Spectrometry; China Wu; Thomas A. Dresch; Ulrich P. Giessmann; Melvin A Park; Bruker Daltonics Inc., Billerica, MA The Methods of Analysis of Solids by Laser TOF Mass- Spectrometer LAMAS-1OM; Griaori B. Kouznetsov; Sergey S. Poteshin; Alexandr A. Sysoev; Moscow Engineering Physics Institute, Moscow, Russia TOF for Monitoring of Fast Processes; Katrin Fuhrer’; Marc Gonin’; Michael I. McCully’; Thomas Egan’; Steven R. Ulrich’; Val W. Vaughn’; William D. Burton Jr. i; John A. Schultz]; Kent Gillig*; David H. Russel12; ‘Ionwerks Inc., Houston, TX; 2Texas A&M University, College Station, TX Sensitivity Improvement by 2-3 Orders of Magnitude and Significantly Raised Sample Throughput, Even Under Inert Conditions by In Source Liquid Injection FD; H. Bernard Linden; Linden CMS GmbH, Leeste, Germany Development and Characterization of a Radio-Frequency Glow Discharge Time-of-Flight Mass Spectrometer for Polymer Analysis; Brad Kninnel; R. Kenneth Marcus; Clemson University Clemson, SC Analysis of Aerosol Samples Using a Bio-Collector and Py-MAB-TOF; Pascal Martin’; Claude Beaugrand*; *Dephy Technologies, Montreal, QC, Canada; 2MGP Instrument, Lamanon, France Considerations for Accurate Simulations of Fon Trajectories with SIMION 3D in an Inductively Coupled Plasma-Time-of-Flight Mass Spectrometer (ICP-

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TOFMS); David P. Mvers; Kimberly Miller; LECO Corporation, St. Joseph, MI Ion Dispersion Near Grids in Time-of-flight Mass Spectrometers - The Critical Effect of the Angle of Incidence; Mark J. Lewin’; Michael Gulihaus’; Frank Read*; Jason Wildgoose3; John Hoves3; Robert Bateman3; ‘The University of New South Wales, Sydney, Australia; 2Department of Physics, Manchester, UK; 3Micromass UK, Manchester, UK Solving the Dynamic Range Problem for Fast GC/TOF- MS; Stephen C. Davis; Andrew D. Hoffman; Nick P. Bukowski; Lu Lin; Jonathan D. Hughes; Alexander A. Makarov; Sergey A. Smirnov; Therm0 Finnigan, Manchester, UK Novel Data Acquisition System for GC/TOFMS: Dynamic Signal Tracking; Viatcheslav Artaev; Timothy Hall; Wayne Hedman; Kevin McNitt; Mark Merrick; Joel Mitchell; LECO Corporation, St. Joseph, MI

ION ACTIVATION/DISSOCIATION. 031- 065 MPB 031 Structural Studies of Synthetic Compounds by FT-ICR-

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MS/MS; Paul J. Gates; Mark Healy; Steven V. Ley; Chemistry Dept., Cambridge University, Cambridge, UK The Fragmentation of N-oxides (Deoxygenation) in Atmospheric Pressure Ionization: Investigation of the Activation Process; Wei Tong; Swapan K. Chowdhury; Kevin B. Alton; James E. Patrick; Schering-Plough Research Institute, Kenilworth, NJ Qualitative and Quantitative Analysis of a Biologically Active Analog of a-Tocopherol; Meansun Song; Karin M. Keller; Jennifer S. Brodbelt; The University of Texas, Austin, TX LC/ES-MS Analysis of Trinitrobenzenic Derivatives of Catecholamines and Amlnophosphollpids; Paul Carvey’; Su Chen’; Ka Wan Liz; ‘Rush Medical College, Chicago, IL, USA; 2Vrije University, Amsterdam, The Netherlands FT-ICR-MS/MS Studies of Small Biologically Active Materials; John P. G. Wilkins’; Paul J. Gates*; ‘SEAC Contaminants, Unilever Research, Bedfordshire, UK; 2Chemistry Dept., Cambridge University, Cambridge, UK Positive and Negative Espray-MS/MS of Labelled Homocystines; Orval A. Mamer’; Christine Jacques’; John Hoffe?; Line Robitaille’; ‘McGill University MS Unit, Montreal, Canada; 2Lady Davis Institute, Montreal, Canada CID Fragmentation Mechanism of Sameridine and Analogues; Hans S. von Euler-Chelnin; Magnus Svensson; AstraZeneca R&D Sodertalie. Sodertalie. Sweden ESIMWMS Study of D&amine and 6-OH-Dopamine; Chunvan Hao’; Raymond E. March’; Timothy R. Croleg; Su Chen’; I Water Qualiq Centre, Trenf University, Peterborough, Canada; 21Jniversity of Arkansas, Little Rock, Arkansas; ‘Ruth Medical College, Chicago, IL Intramolecular Friedel-Crafts Acylation Observed in the Gas-Phase; Yang-Hveon Yim; Hyunil Lee; Younghee Lim; Hye-Sung Cho; Yong-Kook Kim; Sang-Lim Ryu; Sung Kee Kim; Jonghoa Ok, LG Chemical Research Park, Taejan, South Korea A Systematic Investigation of Electrospray Ionization of C3 Isomer of Tris Malonic Acid Fullerene; Michael A. Gravson’; Eva G. LOVE&; Laura L. Dugan2; Michael L. Gross’; ‘Washington University, Chemistry St Louis, MO; 2 Washington University, Medical School, St Louis, MO Charge-Remote Fragmentation of Fatty Acids in Resonant Electron Capture; Valerv G. Voinov*; Hilde Van den Heuvel’; Magda Claeys’; ‘University of Antwerp (UIA), Antwelp, Belgium; 2Paci$c Institute Bioorganic Chemistty, Vladivostok, Russia

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49” ASMS Conference on Mass Spectrometry

Charge-Remote Fragmentation of Fatty Acid Carboxylate Anions in Collisional Activation; Mazda Claevs’; Liberata Nizigiyimana’; Hilde Van den Heuvel’; Valery G. Voino?; ‘University of Antwerp (UIA), Antwerp, Belgium; 2Pact$c Institute Bioorganic Chemistry Vladivostok, Russia The Identification of Triazapamine and its Metabolites by Mass Spectrometry; Dmitri Zaaorevski; Yuan Yang; Tarra Fuchs; Kent Gates; University of Missouri, Columbia, MO The Relationship between Fragmentation Pattern of Flavor Compounds and Ion Source Design; Oinzmei Zha; Brown & Williamson Tobacco Corporation, Macon, GA Applications of Accurate Mass Measurements for Metabolite Identification; Cornelis E.C.A. Han; Philip R. Tiller; Xiao Yu; Xin Xu; Merck Research Laboratories, Rahway, NJ Formation of Molecular Radical Cations of Oligopeptides via Collision-Induced Dissociation of their Cu(II)-Amine Complex Ions; Elham Bapheri Maidi; Ivan K. Chu; Christopher F. Rodriquez; Alan C. Hopkinson; K.W. Michael Siu; York Univerisy, Toronto, Canada Determination of Mass Effects on the Dissociation of Diatomic Ions in a Quadrupole Ion Trap; Glen P. Jackson’; Fred L. King’; Douglas E. Goeringe?; Douglas C. Duckworth*; I West Virginia University, Morgantown, WV; 20ak Ridge National Laboratory, Oak Ridge, TN Location of Double Bond Positions in Alkenyl Alcohols, Acetates and Aldehydes by Ag(1) Cationization Electrospray Tandem Mass Spectrometry; Siu Kwan Wo; Chun Wai Tsang; The Hong Kong Polytechnic University, Hong Kong, China Comparison of the Colllsionally-Induced Dissociation of Non-Covalent Complexes at Different Collision Regimes; Valerie Gabelica’; Frederic Rosu*; Nives Galic’; Edwin De Pauw’; ‘Mass Spectrometty Laboratory-ULg, Liege, Belgium; ‘Biospectroscopy Laboratory- ULg, Liege, Belgium Complete Sequencing of Mono-Deprotonated Peptlde Nucleic Acids by ESI-FTICR-MS and SORI-CID with Internal Calibration of the Product-ion Spectra; Jason W. Flora; James C. Hannis; David C. Muddiman; Virginia Commonwealth University, Richmond VA Effect of Structure on Dissociation: Polyprollne; Allison S. Danell; Gary L. Glish; University of North Carolina, Chapel Hill, NC In-Source and Metastable-Ion Fragmentation of Electrosprayed Peptides; William J. Griff’ths; Karolinska Institutet, Stockholm, Sweden Charge State Dependent Fragmentation Behavior of Gas-phase Bovine Ferri-cytochrome c Ions; Brian J. w; Peng Pan; Gavin E. Reid; J. Mitchell Wells; Scott A. McLuckey; Purdue University, West Lafayette, Indiana Charge State Dependent Dissociation of Gaseous Holomyoglobin Ions in a Quadrupole Ion Trap; Kellv A. Newton. Paul A. Chrisman; J. Mitchell Wells; Gavin E. -9 Reid; Scott A. McLuckey; Purdue University Dept. of Chemistry, West Lafayette, IN Fragmentation Behavior of Gaseous Apomyoglobin Ion in a Quadrupole Ion Trap: (M+21H)+21 - (M+2H)+2; Paul A. Chrisman; Kelly A. Newton; J. Mitchell Wells; Gavin E. Reid; Scott A. McLuckey; Purdue University, Dept. of Chemistry, West Lafayette, IN Charge State Dependent Sequence Analysis of Ubiquitin Ions via Ion Trap Tandem Mass Spectrometry; Jin Wu; Gavin E. Reid; Paul A. Chrisman; J. Mitchell Wells; Scott A. McLuckey; Purdue University Dept. of Chemistry, West Lafayette, IN

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Fragmentation Reactions of a2 Ions Derived from Deprotonated Dipeptides; Alex. G. Harrison; Gregory A. Chasse; Melody L. Mak, Imre G. Csizmadia; University of Toronto, Toronto, Canada Unimolecular Chemistry of Protonated Glycylglycme; Francesco Pinaitore’; Michael J. Polce’; Jody M. Talley’; Chrys Wesdemiotis’; Bela Paizs*; ‘The University of Akron, Akron, OH: 2German Cancer Research Center, Heidelberg, Germany Energetics of Fragmentation of [(Gly) ,, +H] +, Where n=l-3, Using Threshold CID Experiments and Density Functional Theory; Houssain El Aribi; Christopher F. Rodriquez; Tamer Shoeib; Yun Ling; Alan C. Hopkinson; K.W. Michael Siu; York University Toronto, Canada Metal Ion Bonding Affinities and Activation of Phosphate Esters as Studied by Threshold Collision- Induced Dissociation and Theory; Hai Huanq; Mary T. Rodgers; Wayne State University, Detroit, Ml Thermochemical Properties of Hydroxycarbenes; Xinning Liu; Paul G. Wenthold; Purdue University Chemistry Department, West Lafaeytte, IN Absolute Solvation Enthalpies of Metal Ions by Acetonitrile Determined by Guided Ion Beam Mass Spectrometry; Anna B. Valina; Guiseppa Vitale; Mary T. Rodgers; Wayne State University Detroit, MI Trends in the Binding of Various Nitrogen Donor Ligands to Copper Ions Studied by Guided Ion Beam Mass Spectrometry; Jennifer E. Shanoski; Mary T. Rodgers; Wayne State University, Detroit, MI Influence of the Substituents on Cation-p Interactions between Alkali Metal Ions and Substituted Benzene Studied by Collision Induced Dissociation; && Amunuzama; Mary T. Rodgers; Wayne State Universig, Detroit, h@

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TRAPPED IONS, 066 - 099 MPC 066 Ion-Neutral Collision Statistics in DvnamIcal Simulation:

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Bruce B. Reinhold; Ron White; ” University of N~h Hampshire, Durham, NH Gas Phase Formation of Water and Methanol Adducts to MPC 082

Metal Complexes with Nitrogen Donor Ligands; Jessica M. Barr; Bupani A. Perera; Andrea L. Gallardo; Michael J. Van Stipdonk; Wichita State University, Wichita, KS Noise Reduction in a Quadrupole Ion Trap Mass Spectrometer with External Ionization; G. Brody MPC 083

Guckenberger; Scott T. Quarmbv; Therm0 Finnigan Corporation, Austin, TX An EI Quadrupole Ion Source for Mass Spectrometry; Minzda Wang; Ed Cirimele; Agilent Technologies Inc., Palo h4F’C 084

Alto, CA Use of Homemade MIMS Interface with Ion Trap Mass Spectrometer for Studying Ion Molecule Reactions. Loic m; Anne Bossee; Jean Claude Tabet; LCSOB/Uni;eG MPC 085 Pierre et Marie Curie, Paris, France Production and Collision Induced Dissociation of Alkali Tetrafluoroborate Cluster Ions; Jamar S. Martin; Mary P. Ince; Bupani A. Perera; Michael J. Van Stipdonk, Wichita State University, Wichita, KS MPC 086 Characterization of Pharmaceutical Compounds and Related Substances by Using HPLC FTICR-MS and Tandem Mass Spectrometry; Craig A. J. Kemn; Brian E. Winger; Eli Lilly and Company, Indianapolis, IN MPC 087

ESI-FT-ICR-MS Analysis of Proteins Using Off-line H/D Exchange; Jin Duan; Michael A. Freitas; The Ohio State University, Columbus, OH h4Pc 088

19s

Direct Mapping of Acetylation Sites in Histone Subunits by ES1 FT-ICR MS; Liwen Zhang; Michael A. Freitas; The Ohio State University, Columbus, OH Localization of Intramolecular Monosulfide Bridges in Nisin with Bond Selective Tandem Mass Spectrometry; A. J. Kleinni’enhuis’; A. J. R. Heck’; R. M. A. Heeren*; M. C. J Duursma ; ‘Utrecht University Utrecht, Netherlands; 2FOM-AMOLF, Amsterdam, Netherlands Electron Impact Induced Fluorescence of Mass-Selected Ions; Brant Cage’; Melinda A. McFarland*; Christopher L. Hendrickson’; Naresh Dalal*; Alan G. Marshall’; ‘National High Magnetic Field Laboratory, Tallahassee, FL; 2Florida State University, Tallahassee, FL Role of the Vibrational Excited Heterodimers Composed by Amino-AcidlNucleosides Partners on the PA Determination; Sandra Alves; Sakina Mezzache; Claude Pepe; Melanie Quelquejeu; Francoise Fournier; Jean-Marc Valery; Jean-Claude Tabet; Universite Pierre et Marie Curie, Paris, France Enhancement of Sensitivity and Performance to a Benchtop Ion Trap Mass Spectrometer; Alex Mordehai; Linda L. Lopez; Steven M. Fischer; Charles W. Russ; Agilent Technologies, Palo Alto, CA Chiral Analysis of Antiviral Nucleoside Analogs by Mass Spectrometry; W. Andv Tao’; Liamning Wu’; R. Graham Cooks’; Feng Wan?; John A. Begleg; Bernhard Lampert’; ‘Purdue University, West Lafqette, IN; 2Triangle Pharmaceuticals, Inc., Durham, NC Rectangular Wave Quadrupole Field and Digital QMS Technology; Li Ding; Andrew Gelsthorpe; Jim Nutall; Sumio Kumashiro; Shimadzu Research Laborato y, Manchester, UK Enantiomeric Reduction in the Gas Phase Using Copper(H) Substrate Clusters for Distinguishing Chiral Amino-acids by Electrospray Ionization/Ion Trap Mass Spectrometry; Valerie Mancel’; Denis Lesage*; Francoise Foumie?; Nicole Sellier’; Jean-Claude Tabet*; ‘ENSCP, Paris, France; 2Universite Pierre et Marie Curie, Paris, France Investigation of Peptides by Metal Complexation in ESIlMS and MS’ in a Quadrupole Ion Trap; & Bossee’. -, Francoise Fournie?; Fabrice Modeste’; Jean- Claude Tabet*; ‘Centre d’Etudes Du Bouchet, Vert-Le-Petit, France; 2Universite Pierre Et Marie Curie, Paris, France Quantitative Host-Guest Binding Studies by Electrospray Ionization Quadrupole Ion Trap Mass Spectrometry; Courtnev L. Sherman; Jennifer S. Brodbelt; University of Texas, Austin, TX Maximizing Molecular Structure Determination of Biological Molecules Using a Novel Approach for CID in Ion Trap Mass Analyzers; Michael C.-Zumwalt; Paul C. Goodlev; Agilent Technologies. Palo Alto. CA Modification of a Comm&cial Quadrupole Ion Trap for Infrared Multiphoton Dissociation; Karin M. Keller’; Chad M. Ostrande?; Steven T. Fannit?; Jennifer S. Brodbelt’; t The University of Texas, Austin, TX; 2Hitachi Instruments, Inc., San Jose, CA Strategies for High Resolution on the Quadrupole Ion Trap Mass Spectrometer; Danielle N. Dickinson; James P. Murphy, III; Richard A. Yost; University of Florida, Gainesville, FL A Miniature Cylindrical Ion Trap Mass Spectrometer; Brian C. Laughlin; Garth E. Patterson; R. Graham Cooks; Purdue University West Lafqette, IN Image Current Detection in a Cylindrical Ion Trap Array; Garth E. Patterson; Amy M. Gilchriest; R. Graham Cooks; Purdue University, West Lafayette, IN

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A Comprehensive Study of Space Charge and Peak Splitting in the Quadrupole Ion Trap; James P. Murphy al; Scott T. Quarmbg; G. Brody Guckenberge?; Richard A. Yost’; ‘University of Florida, Gainesville, FL; 2Thermo Finnigan Corp., Austin, TX Chemical Mass Shifts in the Quadrupole Ion Trap: Effect of Resonance Ejection and Ion Structure; Hongvan k’; Yanan Peng’; Wolfgang J. Plass*; R. Graham Cooks’; ‘Purdue University, West Lafayette, IN; 2Justus-Liebig Universitat Giessen, Giessen, Germany Optimization of Orthogonal Tandem Ion TraplreTOFIMS; Carine Marinach’; Alain Brunot’; Claude Beaugrand*; Gerard Bolbach’; Jean-Claude Tabet’; ‘LCSOB, UPMC, Paris, France; 2MGPInstruments BPl, Lamanon, France Fragmentation of Singly-Charged Peptide Derivatives Produced by Atmospheric Pressure Matrix-Assisted Laser Desorption Ionization; Marsha C. Galicia’; Akos Vertes’; John H. Callahan*; ‘George Washington University, Washington, DC; 2Naval Research Laboratory, Washington, DC A MALDI-QIT-TOF for High Resolution and High Accuracy MS” (n=1,2,3,..); Koichi Tanaka; Chris Sutton; Emmanuel Raptakis; Kratos Analytical Ltd., Manchester, UK Study of the Ion Mobility Dependence on the Ion Velocity in a Segmented RFQ under Various Rotating Excitation Conditions; Viatcheslav I. Kozlovski; Ilia V. Soulimenkov; Alexander R. Pikhtelev; Valeri V. Raznikov; Ella V. Chardakova; Alexander F. Dodonov; Inst. of Energy Problems of Chem. Phys., Chernogolovka, Russia Application of the Orbitrap Analyser for Measurements of Total Ion-Neutral Collision Cross Sections; Mark E Hardman; Alexander A. Makarov; Therm0 FG Manchester, UK Interfacing the Orbitrap to an Electrospray Ion Source; Mark E. Hardman; Alexander A. Makarov; Therm0 Finnigan, Manchester, UK Experiments and Computer Simulations with a Multisection Nested ICR Cell; Niels Tobias; Karl Peter Wanczek; University, Inst. Inorg. Phys. Chem., Bremen, Germany New Features of Open Cell Design for Internal Source MALDI FTICR-MS; Vladimir E. Frankevich; Juan Zhang; Renato Zenobi; Swiss Federal Institute of Technology Zurich, Switzerland Deduction of Ion Kinetic Energy Distributions Using Dynamic Voltage Trapping in ICR cells; V. Sergey Rakov; Eduard V. Denisov; Jean H. Futrell; Pact@ Northwest National Laboratory, Richland, WA

PROTEIN ASSEMBLIES, 100 - 127

MPD 100 The Electrostatic Contribution to Protein-SDS Binding

MPD 101

MPD 102

MPD 103

Investigated by Charge Ladders and ESI-MS; Harsha P. Gunawardena; Brian T. Cooper; UNC Charlotte, Charlotte, NC Gramicidin: Probing MonomerDimer Dynamics Using H/D Exchange and ESI-MS; Rauhukalvan Kashvan Chitta; Michael L. Gross; Washington University, St.Louis, MO Non-Covalent Interactions among Unsolvated Peptides; David T. Kale& Martin F. Jarrold; Northwestern University, Evanston, IL Non-covalent Interactions of Peptides in Solution; Cross- checking of the Results from Nauoelectrospray Ionization Mass Spectrometry and Computer Simulation; Keiichiro Ishikawa’; Takako Nakamura’; Yoshinori Koga*; ‘National Metrological Laboratory, AIST,

MPD 104

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49th ASMS Conference on Mass Spectrometry

Tsukuba, Ibaraki, Japan; 2Advanced Carbon, AIST, Tsukuba, Ibaraki, Japan Decomposition of Multiprotein Complexes in the Gas Phase; Natalia Felitsvn; Elena Kitova; John S. Klassen; University of Alberta, Edmonton, Canada ESI-MS vs MS/MS: Solution vs Gas-Phase Binding for Noncovalent Protein Complexes; Victor Josenh Nesatvy; Institute for Marine Biosciences, Halifax, Canada Analysis of Noncovalent Protein Complexes by Electrospray-Fourier Transform-Ion Cyclotron Resonance Mass Spectrometry; Nikolav I. Youhnovski; Kai Bruns; Thilo Fligge; Andreas Seidl; Stephan Buehler; Michael Przybylski; University of Konstanz, Konstanz, Germany Gaseous Intermolecular Complexes Characterized by Electron Capture Dissociation Mass Spectrometry; Aaron J. Frank, Bruce Ganem; Scott Bergeron; Fred W. McLafferty; Cornell University, Dept. of Chemistry, Ithaca, NY Disulfide Bond Structure of a Novel C-type Lectin from Snake Venom; Ronn Zenq; Qiang Xu; Xiao-Xia Shao; Qi- Chang Xia; Inst. Biochem & Cell Biol. SIBS, Shanghai, P.R.China Determination of the -SH Reactivity of Tubulin Using HPLC-MS/MS; Joseph P. Nawrocki’; Dan Sackett*; Lewis K. Pannell’; ‘NIDDK, NIH, Bethesda, MD; 2NICHD, NIH, Bethesda, MD Identification of Hypochlorite Oxidation Products of Murlne SlOOA8 Containing Novel Sulfinamide Bonds between Cys and Lys residues; Mark J. Rafters; Carolyn L. Geczy; University of New South Wales, Sydrq, Australia Crosslinklug the Subunits aA and aB Reveals Their Organization in the Native a-Crystallin Aggregate; Catherine L. Swaim’; Jean B. Smith’; David L. Smith’; Eric Forest*; ‘University of Nebraska, Lincoln, NE; ‘Institut .de Biologie Structurale, Grenoble, France Repertoire of Thiol-Presenting Proteins in Human Plasma; Rina Kaneko; Yoshinao Wada; Osaka Med Ctr Matern & Child Health, Izumi, Osaka, Japan Characterization of S-Nitrosylation Sites in Dimethylarginine Dimethylaminohydrolase by ESI-MS; Peter M. Gehrig; Oliver Braun; Markus Knipp; Ragna Sack; Peter E Hunziker; Milan Vasak; University of Zurich, Zurich, Switzerland The Influence of Sample Preparation and Instrumental Parameters on the Detection of Noncovalent Peptide and Protein Complexes by UV-MALDI-TOF-MS; Martin m’; Kathryn Ralphson*; Guenter Allmaier’; ‘Institute for Analytical Chemistry, Vienna, Austria; ‘Kratos Analytical, Manchester, UK Measuring the Thermodynamic Stability of Multimeric Proteins Using a Novel, MALDI- and H/D Exchange- Based Technique; Kendall D. Powell; Thomas E. Wales; Michael C. Fitzgerald; Duke University, Durham, NC A New H/D Exchange and MALDI-MS Method to Determine the Strength of Enzyme-Inhibitor Interactions; Michael Z. Wang; Michael C. Fitzgerald; Duke University, Durham, NC Ligand Binding Conformational Preferences Probed by ES1 MS and Amide H/D Exchange; Hui Xiao; Benjamin W Benson; Stephen J Eyles; Igor A Kaltashov; Universify of Massachusetts, Amherst, MA Probing Ca*+-induced Conformational Changes in Calmodulin by H/D Exchange: Effect of Ionic Strength and Peptide Binding; Mei Zhu’; Madeline A. Shea’; Michael L. Gross’; I Washington University, St. Louis, MO; 2University of Iowa, Iowa City, IA

49th ASMS Conference on Mass Spectrometry

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Hydroxyl Radical Induced alkyl ‘H+*H Exchange in Probing the Solvent Accessibility of Macromolecules; Benedicta N. Nukuna; Case Western Reserve University, Cleveland, OH Structural Studies of Rubisco Bound to the Chaperonin GroEL; Oina Xiao’; Wayne Fenton2; Art Horwich ; David Smith’; ‘University of Nebraska-Lincoln, Lincoln, NE; 2Yale University School of Medicine, New Haven, CT An Investigation of the Quaternary Structure and Interactions of a Dynein Light Chain Using Hydrogen Exchange Mass Spectrometry; Michael Hare; Elisar Barbar; Ohio University, Athens, OH Optimization of Hydrogen Exchange and Mass Spectrometry to Determine the Unfolding Behavior of Large Aggregation Prone Proteins; Ashraf S. Raza; David L. Smith; Nebraska Center for Mass Spectrometry, Lincoln, NE Hydrogen/Deuterium Exchange Studies on HIV-l Capsid Protein Assembled In Vitro; Jason K. Lanman; Marion Kirk: Stephen Barnes; Michael Sakalian; Peter E. Prevelige Jr; University of Alabama, Birmingham, AL Analysis of Protein Complexes with H/D Exchange Coupled to Site-Specific Mass Tagging; John R. Et-men; Xian Chen; Los Alamos National Laboratory, Los Alamos, NM The Study of Protein-Protein Interactions by H/D Exchange and ES1 MS; Kattv Wan’; Matt Duan’; Yuh- Meei Lin’; Jenny Lin’; Rosemarrie Raffen2; Fred Stevens2; ‘MediChem Research Inc, Woodridge, IL; 2Argonne National Lab, Argonne, IL Mass Spectrometry Studies of Hemoglobins Modified with Diaspirin Crosslinkers of Varying Length; HuaPinq &; M. Paul Chiarelli; Kevin M. Bobochak, Kenneth W. Olsen; Dept. of Chemistry, Loyola University, Chicago, IL Gas-Phase Electrophoretic Molecular Mobility Analysis at Atmospheric Pressure of High-Mass Hetero- and Homo-Noncovalent Biocomplexes in Comparison with UV MALDI MS Analysis; Guenter Alhnaier’; Gerold Bather’; Martin Zehl’; Omar Belgacem’; Chris Sutton’; Stan Kaufman3; Wladyslaw W. Szymanski4; ‘Institute for Analytical Chemistry, Vienna, Austria; 2Kratos Analytical, Manchester, UK; ‘TSZ Inc., St. Paul, n/m, USA; 4Znstitute for Experimental Physics, Vienna, Austria

NEUROPEPTIDES, 128 - 137 MPE 128 The Determination of Neuropeptides in the Cerebral

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MPE 131

Ganglion A-cluster of Aplysiu Using CE and LC Coupled with MALDI-MS; Dalia M. Dhinara’; Rebecca A. Kruse’; Jason S. Page’; Stanislav S. Rubakhin’; Ferdinand S. Vilim2; Jonathan V. Sweedler’; ‘University of Illinois Urbana- Champaign, Urbana, IL; 2Mount Sinai School of Medicine, New York City, NY Using a Covalent Tag and MALDI Mass Mapping to Identify the Cocaine-binding Site on the Dopamine Transporter Protein; Sucharita H Bhattacharya’; Kermit K. Murray’; Brian C. Reed’; Joseph B. Justice’; Margaret Lowe2; Roxanne A. Vaughn2; ‘Emory University Atlanta, GA; ‘University of North Dakota, Grand Forks,ND Characterization of Neuropeptide Processing in Single Cells by MALDI-MS; Amanda B. Hummon; Lingjun Li; Rebecca W. Corbin; Jonathan V. Sweedler; University of Illinois, Urbana, IL Identification of Endogenous Neuropeptides from in vivo Microdialysate Samples by Nano-LC Micro-ES1 FT-ICR MS; Terri L. Ouenzer’; Mark R. Emmett’; Per E. A&en’; Alan G. Marshall’; ‘National High Magnetic Field Laboratory, Tallahassee, FL; 2UppsaIa University, Uppsala, Sweden

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21s

Mass Spectrometric Analysis of Peptides and Proteins in Human Lymphocytes with Special Focus on Defensins; Torbiom Johnson’; Rita Persson’; Jonas Bergquist*; Johan Gobom3; Rolf Ekman’; ’ Clinical Neuroscience, Goteborg

University, SU/Molndal, Sweden; ‘Analytical Chemistry, Uppsala University, Uppsala, Sweden; 3Max-Planck Znst. for Molecular Genetics, Berlin, Germany Detection of Endogenous Neuropeptides in Brain Extracellular Fluids; Per E. Andren; Karl Skold; Marcus Svensson; Ulrica Eriksson; Fred Nyberg; Uppsala University, Uppsala, Sweden In Vivo Microdialysis/Nanospray of Neuropeptides; Douglas R. Smith’; Troy D. Wood’; Alexis C. Thompson2; Lori L. Badura’; James C. Dodge*; ‘SUNY at Buffalo Department of Chemistry, Buffalo, NY; ‘SUNY at Buffalo Department of Psychology, Buffalo, NY Examining Wild-type and Transgenic C. Elegans for FMRFamidelike Peptldes via Capillary Liquid Chromatography Tandem Mass Spctrometry; Kevin J. McHale’; Sami Jezzini’; Chris Li ; Arthur S. Edison’; Richard A. Yost’; ’ University of Florida, Gainesville, FL; 2Boston University, Boston, MA Analysis of Neuroactive Peptides with LC/MS in the Urine of Autisic Patients; Jannicke Remme’; Stenhen Koetzner’; Karine Haugland4; Karl L. Reichelt2; Gunnar 0. &%&; ‘NeuroZym Biotech Inc. Murbraek, Snasa, Norway; 2Pediatric Research Institute, University of Oslo, Norway; 3Shimadzu Biotech, Duisburg, Germany; 4Bergmann AS, Oslo, Norway Extracellular Metabolism of Neuropeptide FF in the Rodent Brain; Laszlo Prokai; Alevtina Zharikova; University ofFlorida, Gainesville, FL

PROTEOMICS: NEW INSTRUMENTATION, 138 - 157 MPF 138 Recent Progress in Molecular Scanner; Yulin Huanq;

Peter Juhasz; Saroj Roy; Ken Parker; Applied Biosystems,

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Framingham, MA Online Trypsin Digestion of Proteins at Subpicomole Levels in a Fully Automated HPLC ESI-MS/MS Proteomics Workstation; Wavne E. Scott; Shawn P. D&y; Mark E. Carrier; Kerry D. Nugent; Michrom BioResources, Inc., Auburn, CA A Microfabricated System for Proteome Analysis Using NanoLC-MALDI-Qq-TOF MS; Devanand M. Pinto’; Steven J. Locke’; Stewart McKinnon’; Ted Hubbard’; Marek Kujath2; ’ National Research Council of Canada, Halifax, Canada; 2Dalhousie University, Halijax, Canada Polymer Chip-Based CE/MS Characterization of Peptide Mixtures Arising from Tryptic Digests of Standard Proteins; Tomas Rozek’; Nicolas Barbarin’; Jack Henion’; Douglas B. Mawhinney’; Jun Kameoka2; Harold G. Craighead*; ‘Analytical Toxicology Cornell University, Ithaca, NY; 2Applied & Engineering Physics, Cornell University, Ithaca, NY High Sensitive CE-AutoMS’ Coupling for the Identification and Characterization of Proteins; Matthias Pelzing; Marcus Macht; Petra Palloch; Bruker Saxonia Analytik GmbH, Leipzig, Germany A Comparison of Protein Identification by MALDI-TOF MS, MALDI Q-TOF MS/MS and LC MS/MS; Andreas Wattenberq’; Neil A. Jones’; Richard Tyldesley; Klaus Schneider’; ‘GlaxoSmithKline, Harlow, UK; 2Micromass, Manchester, UK A Novel Low Dead Volume Non-Contact Deposition Device for Capillary HPLCMALDI Mass Spectrometry; Jon R. Fitchett; Ansgar Brock; David M. Horn; Christer Ericson; Eric C. Peters; Qui Phong; Christopher M. Shaw; GNF (Novartis), San Diego, CA

22s

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TRALUMN: Direct Fusion of a Microcapillary Peptide Trap and Separation Column for Automated Nanoscale LC-MS/MS Analysis; Lam, J. Licklider; Steven P. Gygi; Cell Biology Dept. Harvard Medical School, Boston, MA The Use of Micro-Column Technology in Combination with Mass Spectrometry; Martin R. Larsen; Bradley Walsh; Australian Proteome Analysis Facility, Sydney NSW Australia High Mass Accuracy MALDI FT-ICR MS for Protein Identification out of Mixtures of Enzymatic Digests; & Ingendoh; Matthias Witt; Jens Fuchser; Goekhan Baykut; Bruker Daltonik GmbH, Bremen, Germany Characterization of Biological Samples by Micromanipulation and Scanning Microprobe MALDI MS; Werner Bouschen’; Thomas Flad2; Stefan Thalhamme?; Bernhard Soengler’; ‘Analytical Chemistry University Giessen, Giessen, Germany; 2Cent. of Med. Rex University Tuebingen, Tuebingen, Germany; ‘Mineral. and Crystal. University Munich, Munich, Germany Multi-dimensional Capillary HPLC Coupled with Mass Spectrometry for Peptide and Protein Analyses; Wensheng Xu; Steven Cohen; Waters Corporation, Milford, MA Separation and Identification of Complex Protein Mixtures Using Parallel 2D Chromatography and MS; Hongii Liu; Steven Cohen; Waters Corporation, Mi2ford, MA Attomole Level Sequencing of HLA Restricted Peptides by Automated Micro-capillary LCIMSIMS; Jennie R. Lill; Alexandru C. Lazar; Julie A. Corbo; Silvia S Kwak; Marina Hincapie; Wade M. Hines; Roman M. Chicz; Andy J. Tomlinson; ZYCOS Inc, Lexington, MA A General Analytical Platform; Neil L. Kelleher; Benjamin J. Cargile; Fanyu Meng; Andrew J. Forbes; Jeff R Johnson; Leah M. Miller; Steven M. Patrie; Yun Li; University of Illinois, Urbana, IL DesorptionlIonization on Silicon (DIOS): Applications; Zhouxin Shen’; John J. Thomas’; Warren G. Lewis2; Klas M. Broo2; John E. Crowel13; M. G. Finn2; Garv Siuzdak2; ‘Mass Consortium Corporation, San Diego, CA; ‘The Scripps Research Institute, La Jolla, CA; 3Univeristy of California, San Diego, La Jolla, CA Novel Coated MALDI Target for Affktity Capture; Jodi M Zobrist; Lavle K Barbacci; Tom J. Juehne; Tom C. Hassell; John G. Dapron; Heidi A. Heimlich; Richard J. Mehigh; William K. Kappel; Sigma Chemical Company, St. Louis, MO Evaluation of the ES&Chip as a Tool for High Throughput Proteomic Analysis; Michael D. Knierman’; Gary A. Schu&; Simon J. Prosse?; Tom Corso’; Jack D. Henion2; John E. Hale’; Gerald W. Becker’; ‘Eli Lilly and Company, Indianapolis, IN; 2Advion BioSciences, Ithaca, NY High-Throughput Peptide Sequencing with a Dual Sprayer Micro-Capillary LC/MS/MS; Alexandru C. Lazar Roman M. Chicz; Andy J. Tomlinson; ZYCOS Inc, Lexington, MA Development of a Multiplexed Microcapillary Liquid Chromatography for High-Throughput Proteome Analysis; Hookeun Lee; Timothy J. Griff’n; Ruedi Aebersold; The Institute for Systems Biology, Seattle, WA

PROTEOMICS: FUNDAMENTAL STUDIES, 158 - 170

MPG 158 High Through Put Analysis of MALDI TOF/TOF and LCMSMS data; Richard J. Jacob’; Peter R. Baker’; Michael A. Baldwin’; Armin Graber’; A. L. Burlingame’; ‘University of Caltfornia, San Francisco, CA; 2Applied Biosystems, Framingham, MA

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MPG 170

49” ASMS Conference on Mass Spectrometry

Influence of Secondary Structure of Proteins on In- Source Decay in Matrix-Assisted Laser Desorption/ Ionization Time-of-Flight Mass Spectrometry; Mitsuo Takavama’; Akira Tsugita2; ‘Pharmaceutical Sciences, Toho University, Funabshi, Japan: 2Proteomics Research Laboratory, Tsukuba, Japan Enhanced Proteome Characterization Using Capillary LC / ES1 FTICR MS; M&hail E. Belov; Gordon A. Anderson; Nicolas H. Angell; Ellen A. Panisko; Harold R. Udsetlr Richard D. Smith; Paczftc Northwest National Labovaiory, Richland, WA Arginine-Containing Tryptic Peptides in MALDI TOF and MALDI TOF-TOP: A Curse or Blessing?; && Juhasz. Srinivasan Krishnan; Steve Martin; Applied Giems, Framingham, MA Analysis of the S. cerevisiue Proteome; Davin Lin; John R. Yates III; The Scripps Research Institute, La Jolla, CA A Sensitive Sample Preparation Method for Nanomolar Protein Analysis by MALDI TOF MS; Bemd 0. Keller; Liang Li; Dept. Chemistry, University of Alberta, Edmonton, AB, Canada Identification of Proteins from Peptide Mixtures over a Wide Dynamic Range; Gan, Woffendin’; Michaela Scigelova’; Thomas Shale?; Pave1 Bondarenko2; Mark Harrison’; Christopher Becke?; ‘ThermoQuest UK, Hemel Hempstead, UK; 2ThermoFinnigan, San Jose, CA Selective Isolation and Detection of Cross-linked Peptides by Multidimensional Chromatography and Mass Spectrometry; Melanie P Gvpi; Larry J. Licklider; Steven P. Gygi; Harvard Medical School, Boston, MA Quantitative Proteomic and mRNA Expression Analysis of s. Cerevisiae via Metabolic Labeling and Multidimensional Protein Identification Technology; Michael P. Washburn’; Guy Oshiro’; Dirk Wolters’; Cosmin Deciu’; Dave Scheiltz’; John Yates’; Elizabeth Winzele& ‘Torrey Mesa Research Institute, San Diego, CA; 2Genomics Institute of Novartis, San Diego, CA At What Level Are the Components of a Binary Mixture of Proteins Identifiable?; Yona-min Li’; Peter S. Backlund, Jr. ‘; Roger Moore2; Alfred L. Yergey’; ‘NICHD, NIH, Bethesda, MD; 2City of Hope, Duarte, CA Factors that Affect Protein Identification Using MALDI- TOF MS Peptide Mapping; Haofei Wang’; Scot R. Weinberge?; Ron Orlando’; ‘CCRC, University of Georgia, Athens, GA; 2Ciphergen Biosystems, Inc., Palo Alto, CA Reducing the Charge States of Peptides with pH Modifier Filters Inliue with ES1 Sheath Gas; Richard Harris. Simin D. Maleknia; Sctformatics, Sydney, NSW, Australia Protein ES1 Spectra Cleaned-up with Chelating Compounds; Ivan Haller’; Michael Schlame2; Thomas J. Blanck2; ’ Cornell University Medical College, New York, NY; ‘Hospitalfor Special Surgery, New York, NY

PROTEOMICS: APPLICATION EXAMPLES. 171- 198

MPH 171 Identifying Zinc Transport and Metabolism Proteins in

MPH 172

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Humans; Kvuseong Choi; Michael F. Mouat; Arthur Grider; Ron Orlando; University of Georgia, Athens, GA Acquired Drug Resistance Studied by Comparative Proteomic Techniques: Riobosomal Proteins; Jiemin Lu; Yetrib Hatout; Amy Freas; Catherine Fenselau; University of Maryland, College Park, MD CE/MS/MS Analyses of Protein Digests of Human Myelin Basic Proteins in a qIT/reTOF Mass Spectrometer; Jeonakwon Kim; Robert Zand; David M. Lubman; The University of Michigan, Ann Arbor, MI A Proteomics Approach to Reveal Synaptic Protein Synthesis; J. van Minnen’; C. R. Jimenez’; B. B. Kaplan3;

49’ ASMS Conference on Mass Spectrometry

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A. Gioio3; A. Giuditta’; K. W. Li’; ‘Free University, Amsterdam, The Netherlands; ‘University of Naples, Naples, Italy; ‘University of Pittsburgh, Pittsburgh, PA Analysis of Protein Expression Patterns in S. cerevisiae following Treatment with Rapamycin; Francesca Zannacosta; Therese A. Sterner; Roland S. Annan; Caretha L. Creasy; George P. Livi; Frank Tobin; Valeriu Damian- Iordache; Steven A. Carr; GlaxoSmithKline, King of Prussia, PA Identification of Integral Membrane Proteins in the Thylakoid Membrane by Differential Extraction and Mass Spectrometry; Jean-Benoit Peltier; A. Jimmv Ytterberq; Klaas J. van Wijk; Plant Biology, Cornell University, Ithaca, NY Identifying Allergenic Proteins from Penicillium chrysugenum; Jeremi Johnson’; Stephen Vespe?; Jody Shoemake?; David Kryak’; Ron Orlando’; ‘CCRC, University of Georgia, Athens, GA; 2U.S. EPA, Cincinnati, OH Monitoring the Post-Translational Logic of Histone-DNA Interactions in Extremophilic Archaea; Andrew J. Forbes; Fanyu Meng; Benjamin J. Cargile; Biswarup Mukhopadhyay; Neil L. Kelleher; University of Illinois Urbana-Champaign, Urbana, IL Determination of Actin Glutathionylation by Mass Spectrometry; Emily S. Boia; Jun Wang; Boon Chock; Henry M. Fales; NHLBI, NIH, Bethesda, MD Analysis of the Proteome of Normal and Cancerous Human Crypts by Rapid PSD Analysis; Kathrvn A. Ralphson’; David F. Frecklington’; Hong Ji’; Robert L. Morit2; Chris W. Sutton’; Richard J. Simpson*; ‘Kratos Analytical, Manchester, UK; 2Ludwig Institute for Cancer Research, Melbourne, Australia Creation of a Map of Ubiquitinated Cellular Proteins; Liming Donq; Weiqun Li; D. C. Anderson; Rigel Inc., S. San Francisco, CA Proteomic Studies of Medicago Truncatula by 2D PAGE MALDI-TOF-MS; Victor S. Asirvatham; Bonnie S. Watson; Lloyd W. Sumner; The Samuel Roberts Noble Foundation, Ardmore, OK Insulin in a Drop of Blood; Axe1 Ducret’; Anu Gau?; Paul Kowalski’; ‘Merck Frosst Canada & Co, Kirkland, PQ, Canada; 2Bruker Daltonics hc, Billerica, MA Determination of Human Insulin in Human Plasma by LCIMSIMS; Yongdong Zhu; Daniel J. Meyer; Zamas Lam; Benjamin M. Chien; Quest Pharmaceutical Services, Newark, DE

Sequence Determination of Protein Biomarkers for

MALDI and LCIESI-MS Analysis of E. coli ATCC 9637 Harvested at Different Growth Times; Kevin Y. Dunloo; Liang Li; University of Alberta, Edmonton, Canada The Study of Human Mutant Beta-Catenin-Imaging and Profiling of Whole Cell Lysates Using LCYMS after Liquid Phase IEF separation; Sivuan Gong; Donald Schwartz; David M. Lubman; University of Michigan, Ann Arbor, Ml

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23s

A Subproteomic Approach for the Characterization of Hydrophobic Proteins in Cancer Cell Lines Using RP- HPLC with ESI-oaTOF-MS and MALDI-MS; Kimberly A. O’Neil’; David M. Lubman’; Fred R. Mille?; ‘University of Michigan, Ann Arbor, Ml; ‘Karmanos Cancer Institute, Detroit, MI Epitope Characterisation of Pathogenic Antibodies in a Spontaneous Mouse Model for Rheumatoid Arthritis by FTICR-Mass Spectrometry; Samuel Solomon’; Cornelia Kolb’; Michael Przybylsk?; Harald Illges’; ‘University of Konstanz, Dep. Biology Konstanz, Germany; ‘University of Konstanz, Dep. Chemistry Konstanz, Germany MS Identification of Bioactive Peptides in Soybean; Bernard F. Gibbs’; Alex Zougman*; Catherine Mulligan3; Robert Masse’; ‘Concordia University, Montreal, QC, Canada; 2MDS Pharma Services, Montreal, QC,Canada; 3MDS Proteomics, Toronto, ON, Canada

Difference In-Gel Electrophoresis Technology for the Identification of Cancer Specific Protein Markers; Hongiun Shu’; Hongmei Li’; Dianne Decamp’; Ge Zhou’; Yi Gong’; Emanuel F. Petricoin III’; Yingming Zhao’; ‘UT Southwestern Medical Center, Dallas, TX; ‘Food and Drug Administration, Bethesda, MD Analysis of Peroxisomal Membrane Proteins of Saccharomyces cerevisiae Using ID-SDS- Gelelectrophoresis Combined with LC-MS/MS; & Schaefer’; Katja Nau*; Albert Sickmann’; Ralf Erdmann*; Helmut E. Meyer3; ‘Ruhr-Universitaet, Proteinstrukturlabor, Bochum, Germany; 2Freie Universitaet, Chemie/Biochemie, Berlin, Germany; 3Proteinstrukturlabor and Protagen AG, Bochum, Germany Underdecarboxlyation of Vitamin K-Dependent Proteins: Occasionally Severe, Possibly Universal; Michael B. Martinez’; Stephen B. Harvey’; LeeAnn Higgins’; Thomas Krick’; Walter Kisiel’; Donald Fosters’; Todd Brown’; Thomas C. Evans’; Amit M. Shah’; Gary L. Nelsestuen’; ‘University of Minnesota, St. Paul, A&V; ‘Zymogenetics, Seattle, WA Determination of the Binding of Cdc25A Catalytic Domain by Antiproliferative Quinones Using MALDI- MS and Capillary LC-ES&MS. ; Lixia Pu’; John S. Laze’; Mark E. Bie?; ‘University of Pittsburgh, Pittsburgh, PA;

‘Carnegie Mellon University, Pittsburgh, PA Analysis of Proteins Released from Mitochondria of Apoptotic Cells into Cytoplasm; Toshie Takahashi’; Yoshiko Yokoyama*; Takeshi Kasama3; Takao Shimizu’; Kazutaka Kano’; ‘University of Tokyo, Tokyo, Japan; *Waseda University, Tokyo, Japan; ‘Tokyo Medical and Dental University, Tokyo, Japan Comparative Proteomic Studies of Drug-Resistant and Wild-Type MCF-7 Cells Using Proteolytic “0 Labeling; Xudong Yao; Catherine Fenselau; University of Malyland, - . . _ . .._ College Park, MD

Pathogenic Strains of Vibrio parahaemofyticus; Tracie L. 1.11 I I,,

Williams’; Denis Andrzejewski’; Susan McCarthy$ Angelo a; Steven Musser’; I CFSAN, U.S. Food and Drug Administration, Washington, DC; 2CFSAN, U.S. Food and Drug Administration, Dauphin Island, AL A Sampling of the Deinococcus radiodurans Proteome; Liiliana Pasa-Tolic; Gordon A. Anderson; Thomas P.

MPI 200

Conrads; Richard Harkewicz; Lingjun Li; Mary S. Lipton; Christophe D. Masselon; Margaret F. Romine; Yufeng Shen; Nikola Tolic; Timothy D. Veenstra; Richard D. Smith; Pa@ Northwest National Laboratory, Richland, WA

Immunoaffinity Extraction Coupled with HPLC- Electrospray-MS; P. Lee Ferguson’; Charles R. Iden*; Anne E. McElroy’; Bruce J. Brownawell’; ‘Marine Sciences

ENVIRONMENTAL, 199 - 234 IAPT loo Determination of Steroid Estrogens in Wastewater by

Research Center, SUNY, Stony Brook, NY; 2Dept. of Pharmacological Sciences, SUNX Stony Brook, NY Extraction, Isolation, and Analysis of Pharmaceuticals and Disinfectants from Sediments by Using Pressurized Fluid Extraction, Solid-Phase Concentration, and HPLCIMS; Edward T. Furlong; Imma Ferrer; Jeffery D. Cahill; United States Geological Survey, Denver, CO

24s

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Quantitation with Confirmation of Four Related beta- Lactam Antibiotics and Lincomycin in Bovine Milk with LClMS on a Single Quadrupole Mass Spectrometer; Kevin C. Crellin’; Emily Sible’; ‘Waters Corporation, Pasadena, CA; ‘Waters Corporation, Dublin, CA Multiple Analysis of Antibacterial Drugs ln Foods Using LC/MS/MS; Katsuhiko Yamamoto’; Tetsuo Kokaji’; Tetsuo Kokaji’; Tetsuo Kokaji’; Vince Gao*; ‘Applied Biosystems Japan Ltd, Tokyo, Japan: 2Applied Biosystems, Foster City, CA Rapid Determination of Tylosin and Virginiamycin in Swine Manure by APcI LC/MS/MS; Davue Shang; Monica Dyck; Nancy Dassie; Nicole Gibbons; Carl Alleyne; Helen Nicolidakis; Xiaoyan Jia; Organic Residues Lab, Health Canada, Burnaby, Canada Isolation and Enrichment of Salmonella on Immunomagnetic Beads Prior to Detection by MALDI- TOFMS; Angelo J. Madonna’; Kent J. Voorhees’; France Basile’; ’ Colorado School of Mines, Golden, CO; 2Univ of Colorado Health Sciences Center, Denver, CO Aging of Cvptosporidium parvum Oocysts Studied by MALDI-TOF MS; Matthew L. Maanuson; James H. Owens; Catherine A. Kelly; US EPA / NRMRL / WSWRD, Cincinnati, OH The Evaluation of Matrix Assisted Laser Desorption/Ionisation Time of Flight Mass Spectrometry in Fungal Identification; Therese M. McKenna’; Martin S. m’; Susan English*; Glyn Morton’; ‘Micromass UK Ltd., Manchester, UK; 2Universig of Central Lancashire, Preston, UK Capture and Detection of Bacteria Using Immobilized Antibodies and MALDI-TOF Mass Spectrometry; Jon h’; Angelo Madonna’; Imma Ferrer’; Kent J. Voorhees’; Edward Furlong*; Franc0 Basile’; ‘Colorado School of Mines, Golden, CO; 2United States Geological Survey, Denver, CO Detection of Acylated Homoserine Lactones by LC- APCI-FTMS; Patterson R. Nuessle’; R. Sean Norman*; Gary L. Mills’; Pamela J. Morris2; ‘University of Georgia /SREL, Aiken, SC; 2Medical University of South Carolina, Charleston, SC Evaluation of MALDI-TOF/MS for Investigating Fulvlc Acids; Mohammed A. Meetani’; Kent J. Voorhees’; Patrick Mac&thy’; Jerry A. Leenheei?; Edward Furlong2; ‘Colorado School of Mines, Golden, CO; 2United States Geological Survey, Denver, CO Analysis of Riverine Dissolved Organic Matter (DOM)

by Solid-Phase Extraction (SPE) and Mass Spectrometry; Sum&wan Kim; Reno Nguyen; Patrick G. Hatcher; Ohio State University, Columbus, OH LC/MS and LC/MS/MS (QTOF) Characterization of High Molecular Weight Halogenated and Non- Halogenated Humic Material from Canadian Surface Waters; Kate Stuttaford’; John Carey; Mehran Alaee’; ‘University of Guelph, Guelph, ON, Canada; 2National Water Research Institute, Burlington, ON, Canada Analysis of Humic Substances Using Electrospray Ionization Mass Spectrometry Combined with Size Exclusion Chromatography; Thomas Pfeifer; Michael Spiteller; Institute of Environmental Research, Dortmund, Germany Structural Analysis of Fulvic Acid by Electrospray Ionization/Mass Spectrometry; Colleen E. Rostad; Jerry A. Leenheer; US Geological Survey, Denver, CO Detection and Quantitation of Flavonoids and Other Secondary Metabolites in Acer Saccharum Leaves br HPLCIMSIMS; Eric P. S. Sager’; Tom C. Hutchinson ;

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49’ ASMS Conference on Mass Spectrometry

Timothy R. Croled; ‘Trent University, Peterborough, Canada; 2University of Arkansas for Medical Sciences, Little Rock, AR Characterization of Dissolved Proteins in Seawater Using Tandem Mass Spectrometry; L. Matthew Powell; Aaron T. Timverman; West Virginia University Morgantown, WV Characterization of Microcystins in Microcystis aeruginosu Blue-Green Algae by Microbore LC- ESMSIMS; Cariton Kubwabo; Frank M. Benoit; Health Canada, Ottawa, Canada Simplified Quantitation for Total Microcystin in Freshwater Lakes Using ESI-LC/MS; Hideaki Uchida’; Kunimitsu Kaya2; Tomoharu Sane’; Shigeki Daishima’; ‘Yokogawa Analytical Systems Inc., Musashino-shi, Japan; ‘National Institute for Environ. Studies, Tsukuba, Japan LC-ESIMSMS Screen for Combined Analysis and Characterization of Alkaloid and Cyclic Peptide Toxins Produced by Cyanobacteria; Scott M. Brittain; Charles L. Friday; Wayne W. Carmichael; Wright State University, Dayton, OH LC/MS Method Development for the Analysis of Hepatotoxic Cyclic Peptide Microcystins in Animal Tissues; Jennifer L. Ott’; Wayne W. Carmichael’; Bradley Ackerman’; Kenneth Ruterbories*; ‘Wright State Universiq, Dayton, Ohio; 2Eli Lilly and Company, Indianapolis, IN Identification of Toxic Strains of Marine Algae by Mass Spectrometry; Mark Busman; National Ocean Service, Charleston, SC Simultaneous Analysis of Cylidrospermopsin and Anatoxin-a in Water Samples Using LCMS; Charles L. m; Wayne Carmichael; Wright State University, Dayton, OH Ozonation of Mode1 Compounds of Humic and Fulvlc Acids: a Way to Predict Drinking Water Disinfection by- Products and their Mechanism of Formation; Patrizia Davit Susan D. Richardson; US Environmental Protection G&, Athens, GA Application of Electrospray Mass Spectrometry and Tandem Mass Spectrometry to the Analysis of Chlorinated Disinfection By-Products; Yinabo C. Guo’; Cordelia J. Hwang’; Sylvia E. Barrett’; Xiangru Zhang*; Roger A, Minea?; ‘Metropolitan Water District, La Verne, CA; ‘University of Illinois, Urbana-Champaign, IL Occurence of Disinfection By-Products in Drinking Waters -Preliminary Results of a Nationwide Study; Alfred D. Thruston, Jr. I; Susan D. Richardson’; Stuart W. Krasne?; Sal Pasta?; Howard S. Weinberg3; Gretchen D. 0nstad3; ‘U.S. Environmental Protection Agency, Athens, GA; ‘Metro. Water District of So. California, LaVerne, CA; 3University of North Carolina, Chapel Hill, NC Collision-Activated Dissociation of DNPH Derivatives Applied to LC/MS/MS Analysis of Polar Disinytion by- Products; Christian Zwiener ; Thomas Glauner ; Fritz H. Frimmel’; Gary Glish2; ‘Engler-Bunte-Institute, Water Chemistry, Karlsruhe, Germany; ‘Dep. of Chemistry, UNC, Chapel Hill, NC Environmental Monitoring of Aldehydes by HPLCYMS; Gabriela Zurek’; Susanne Schindle?; Uwe Karst’; ‘Anorganisch-Chemisches Institut, Muenster, Germany; 2Shimadzu Biotech, Duisburg, Germany Application of Electrospray/Atmospheric Sampling Glow Discharge Ionization for Direct Analysis of Polar Disinfection By-Products; Christine N. Dalton; Zhengqi Ye; Howard Weinberg; Gary L. Glish; Universily of North Carolina, Chapel Hill, NC High Resolution ESI-MS Analysis of Haloacetic Acids; Sven Kilz’; Mathias Schaefe?; Helmut Muenster’;

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‘ThermoFinnigan, Bremen, Germany; 2University of Cologne, Cologne, Germany The Use of Ion Pair Liquid Chromatography I Mass Spectrometry to Compare Dichloro- and Trichloroacetic Acids from Water and Biological Samples; David C. Delinskv; Jeff W. Fisher; Michael G. Bartlett; University of Georgia, Athens, GA Formation of Organochlorine Compounds during Chlorination of Water; Albert Lebedev; Natalia Sinikova; Gulnara Shaidulina; Moscow State lJnivers& Moscow, Russia Determintation of Trichloroethylene from Drinking Water and Selected Tissues; Stacy D. Brown; Michael G. Bartlett; James V. Bruckner; S. Muralidhara; The University of Georgia, Athens, GA Automated Sourcing of Potable Waters Using Headspace GC/MS Coupled with On-Line Chromatographic Pattern Matching; Benjamin Blunt’; Scott J. Harrison’; m Blackbum’; Nick P. Bukowski2; ‘Center for Disease Control, Atlanta, GA; ‘Therm0 Finnigan, Manchester, UK Applications of Ion Chromatography Coupled with Mass Spectrometric Detection (ICIESI-MS); William C. Schnute’; Rosamre Slingsby’; Peter Jackson’; Raimund Roehl’; ‘Dionex Corporation, Sunnyvale, CA; 2Caltfornia Dept. of Health Services, Berkeley, CA Quantitation of Epoxide Adducts to N-Terminal Valine of Hemoglobin Using GC/HRMS, GC/MS/MS and LC/MS/MS Techniques; Asoka Ranasinghe; Pat B. Upton; Melva N. Rios-Blanco; Nadia I. Christova-Georgieva; James A. Swenberg; University of North Carolina, Chapel Hill, NC

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MPJ 235 Protein Binding and Pharmacokinetics Study of Cancer Drug Candidates in Laboratory Animals Determined by HPLCDISMS and Radioactivity Detection; Hideii Fuiiwara; Mariko Aoki; Jeffery L. Keene; Tiffany A. Duffin; Thomas E. Rogers; Chandra Gamlath; Pharmacia Company, Chesterfield, MO

MPJ236 Quantitative Analysis of Tacrolimus and Rapamycin * (Sirolimus) in Human Whole Blood by LCNSIMS;

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James E. Schiller; Joseph T. Snodgrass; Brian Keyes; Paul A. Taylor; Taylor Technology, Inc., Princeton, NJ Optimization of Protein Precipitation Based upon Effectiveness of Protein Removal and Ion-Suppression in LC-MS/MS; Cara Polson; Russell Grant; Bev Incledon; Vanaja Raguvaran; Pratibha Sarkar; Eli Lilly Canada, Inc., Toronto, Canada A Rapid, Sensitive and Specific Negative Ion Mode LC/MS/MS Method for the Quantitation of Hydrochlorothiazide in Human Plasma; Marius Foltea; Michel Simard; Orthodoxia Fragiskatos; MDS Pharma Services, Montreal, Canada Analysis of Therapeutic and Illicit Drugs by Capillary LC/MS/MS; Feng Zhong;. David L. Lavorato; Gary A. Impey; Clevys J. Monasterios; Applied Biosystems/MDS Sciex, Toronto, Canada Determination of ABT-963, a New COX-II Inhibitor, In Blood Plasma Using an Ion Trap Mass Spectrometer; Min S. Chang; Brendan Swaine; Huong Mai; Sandra Majest; Tawakol El-Shourbagy; Abbott Laboratories, Abbott Park, IL LC-MS/MS Determination of Protease Inhibitor Lopinavir (Kaletra) in Plasma of HIV-l Infected Patients; Sonnv Gunawan; Marshall P. Griswold; Mark V. Gorder; Consolidated Laboratory Services, Van Nuys, CA New Developments in High-Throughput Solid Phase Extraction with LCYMSIMS; Jerry P. Roach’; David M. Marchisin’; Kenneth D. W. Roth’; Preston P. Davis’; Shelby

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Parchman’; Jason Lowden3; Roger N. Hayes’; ‘Schering- Plough Research Institute, Lafayette, NJ; 2BHK Laboratories, Chicago, IL; ‘MetaChem Technologies Inc., Torrance, CA A 96-Well Solid Phase Extraction LC-MS/MS Method for the Quantitative Determination of Dexmedetomidine and its Glucuronide Metabolites in Human Plasma; Q& C.; Julie Y. Zhou; Min S. Chang; Tawakol EL-Shourbagy; Abbott Laboratories, Abbott Park, IL Rapid and Sensitive Tandem LCMS Assay of Paclitaxel using a 13C Isotopomer Internal Standard: Application to Low Dosing Regimes and Small Animal Models; Joseph A. Zirrolli; Mark W. Duncan; University of Colorado HSC, Denver, CO LC-MS/MS Method to Rapidly Monitor Plasma and Brain Levels of a Novel Alzheimer Drug Candidate in the Mouse; Paul Dronaris; Hong Gao; Julie Laurin; Denis Garceau; Neurochem Inc., St-Laurent, Quebec 3D HPLC/MS/MS for Universal, Direct Online Injection of Physiological Fluids in Rapid, High Sensitivity Pharmacokinetic Assays; Kerrv D. Nugent; Wayne E. Scott; Mark E. Carrier; Shawn P. Duffy; Michrom BioResources, Inc., Auburn, CA Comparison of 96-well to 384-well Solid-Phase Extraction of Amlodipine from Human Plasma; Dale A. Camobell; Timothy J. Ordway; Ken T. M. Dillon; Laura M. Irwin; Jack Henion; Advion Biosciences, Inc., Ithaca, NY A New Method for the Rapid Analysis of Compounds from Brain Tissue and Plasma by Turbulent Flow Chromatography Tandem Mass Spectrometry; Christonher S. Cream Stephen C. Wemess; ZCAgen, Inc., Durham, NC Validation of an Ultrasensitive Method for the Determination of Oxycodone, Oxymorphone, and Noroxycodone in Human Plasma Using Liquid Chromatography with Tandem Mass Spectrometric Detection; Thomas Addison; Glenn Hanson; Naidong Weng; Covance Laboratories Inc, Madison, WI Brain and Plasma Exposure Profde in Drug Discovery by Cassette Administration and Liquid Chromatography/Tandem Mass Spectrometry; Mei-Yi Zhanp; Edward Kerns; June Sonnenberg-Reines; Suzan Aschmies; J. Steven Jacobsen; Yanxuan Cai; Oliver McConnell; Wyeth-Ayerst Research, Princeton, NJ Quantitative Determination of Fluvastatin in Human Plasma by Using LCIMSNS; Pei Hu; Ji Jiang; Honghong Xie; Hui Zhou; Peking Union Medical College Hospital, Beijing, China Automated 96-well Liquid-Liquid Extraction for the Quantitation of Tramadol and its Metabolite O- Desmethyl-Tramadol in Human Urine; Ann Zhu; Xinping Fang; Voon Ong; Danlin Wu; Purdue Pharma L.P., Ardsley, NY A Comparison of Manual and Automated 96-well Liquid-liquid Extraction for Quantitation of V102862 and its Acid Metabolite in Human Plasma with LCIMSIMS; Ming Wang; Xinping Fang; Gabriel Labissiere; Kevin Cook; Charisse Green; Nicole Pinto; Danlin Wu; Purdue Pharma LP, Ardsley, NY Simultaneous Determination of Dexamethasone and Bupivacaine in Human Plasma Using Micromass LCIMSIMS; Fens Gao; Megan Caputo; Toni Thomson; Masood Basood; Nicole Pinto; Rich Badger; Jan Miotto; Danlin Wu; Purdue Pharma, L.P., Ardsley, NY Determination of Factor Xa Inhibitors by LC/MS-MS with Turbulent Flow on-line Plasma Extraction; Jun

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u; Jih-Lie Tseng; Marilyn Lam; Babu Subramanyam; Berlex Biosciences, Richmond, California Effect of Anticoagulant in Plasma Matrices on Discovery Bioanalytlcal LC-MS/MS Assays; Nalini Sadaaonan; Wenlin Li; David Weller; Lucinda Cohen; Scott Fountain; Pfizer Global R&D, Ann Arbor, MI Utilization of Stable Isotope Methodology in Tandem with LCIMS-MS Technique in Determining the Pharmacokinetics of a Novel, Orally Available Factor Xa Inhibitor; Mar&n Lam; Jih-Lie Tseng; Jun Shen; Babu Subramanyam; Berlex Biosciences, Richmond, CA Quantitative Determination of Compound Permeability in an Artificial Membrane System with LC/MS Detection; Man, Mentzer; H. Y. Cheng; Fan Lin; Mark F. Bean; Mark E. Hemling; Steven A. Carr; GlaxoSmithKline, King of Prussia, PA Quantification of Amoxycillin Using LC-ESI-MS/MS to Assess Pharmacokinetlc in Febrile Beagle Dogs Following Repeated Administration of Endotoxin; Francis Beat&v’; Pascal Vachon’; Jean-Francois Marie?; Murray Ducharme’; Diane Fortin’; Jean-Pierre Moreau’; Robert Masse’; Alain Comtois2; ‘MDS Pharma Services, Montreal, Canada; 2University of Montreal, Montreal, Canada Determination of Cyclosporin A in Brain Tissue and Blood following Intra-carotid Injections in Normal and Stroke-Induced Rats Using LC-ESI-MS/MS; Francis Beaudry’; Pascal Vachon ; Line St-Marie2; Jane Montgome$; ‘MDS Pharma Services, St-Laurent (Montreal), Canada; 2Centre Hospitalier de I’lJniversite de Montreal, Montreal, Canada Evaluation of an Engineered Butyrylcholinesterase in the Treatment of Cocaine Overdose by On-Line HPLC-Ion Trap Mass Spectrometry; Marvann L Shen’; Hong Sun’; Catherine C Stacey’; W Stephen Brimijoin2; ‘Bruker

Daltonics, Inc., Billerica, MA; ‘Mayo Clinic/Foundation, Rochester, MN Rapid, Simultaneous Determination of Ten Antidepressant Compounds in Serum by Liquid Chromatography Tandem Mass Spectrometry (LC-MS- MS); Sum Ghan’; Phuong-Anh Nguyen’; Seyed Sadjadi’; Benjamin Gerson2; Richard Reitz’; ‘Quest Diagnostics, Nichols Institute, San Juan Cap., CA; ‘Jefferson Medical College, Philadelphia, PA Co-elute Suppression Effect in High-Throughput Quantitative LC/MS/MS Analysis; Shaolian Zhou; Michael J. Larson; Naidong Weng; Xiangyu Jiang; Covance Laboratories, Inc., Madison, WI Bioanalytical Validation for a LC/MS/MS Assay of INS365 and its Metabolites in Rabbit Plasma Using Tripropylamine as an Ion Pair Reagent; Kenii Matsuura’; Hidetoshi Mano’; Masahiko Nishiyama2; Aki Morikawa3; Kouichi Kawazu’; ‘Santen Pharmaceutical, Ikoma, Japan; 2Kissei Pharmaceutical, Matsumoto, Japan; ‘Japan Clinical Laboratories, Nishiwaki, Japan High Throughput Quantitation of Midazolam by LC-MS Ion Trap; Christian Sauber; Friedrich Mandel; Agilent Technologies, Waldbronn, Germany Quantitative Analysis of Betulinic Acid in Mouse, Rat and Dog Plasma Using Electrospray LC-MS; Young Geun Shin’. Xun Chenq’; Richard B. van Breemen’; Smitl?; Joseph E. Tomaszewski2;

Adaline C. Barry S. Levine’;

‘University of Illinois, Chicago, IL; 2National Cancer Institute, Bethesda, MD Carryover Peaks in Quantitative Bioanalytical LCIMSIMS: Causes, Effects, and Solutions; David J. Anderson’; Edward G. Green’; John R. Perkins’; Stephen Jack D. Henion’; John-Michael Saue?; Jennifer Lowes ;

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49” ASMS Conference on Mass Spectrometry

Burke?; Kenneth J. Ruterbories2; Gurkeerat Singh2; ‘Advion Biosciences, Inc., Ithaca, NY; 2Lilly Research Laboratories, Indianapolis, IN Quantification of Risperidone (RIS) and 9- Hydroxyrisperidone (9-OH-RIS) in Plasma and Saliva; W. Luo’; A. Fang’; M. Aman2; N. Gerbe?; P. Vouros’; ‘Northeastern University, Boston, MA; 2Childrens Hospital, Columbus, OH Development of Microscale Methods Using Microelectrospray Mass Spectrometry for Bioavailability Studies of Isoflavones; Chao-Cheng (Sam) Wang; Stephen Barnes; University of Alabama, Birmingham, AL Determination of Suppressed Testosterone Levels in Human Serum by LC-MS/MS; Stephen D. Clarke; Jeremy Cook, Gregg Imrie; Terry Noctor; York Bioanalytical Solutions, York, UK High Performance Liquid Chromatographic Method for the Determination of Pergolide in Human Plasma; &J,& Letarte. Erick Tessier; Martin Choiniere; Rudolf Guilbaud; -, h4DS Pharma Services, St-Laurent, Canada A Rapid LC-MS/MS Method for the Simultaneous Quantification of Hydrocodone and Its Metabolite Hydromorphone in Human Plasma Using Automatic Sample Preparation; Yu-Luan Chen; Glenn Hanson; Xiangyu Jiang; Naidong Weng; Covan Laboratories Inc., Madison, WI

CARBOHYDRATES, 273 - 292

MPK273 D/H Glycan Quantification Strategies to Understand

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Glycosyltransferase Gene Expression; J. Cesar Rosa’; Bruce B. Reinhold’; Harry Schachte?; Vernon N. Reinhold’; ‘University of New Hampshire, Durham, NH; 2Hospital for Sick Children, Toronto, Canada Capillary Electrophoresis / Electrospray Ion Trap Mass Spectrometry for the Analysis of Negatively Charged Derivatlzed and Underivatized Glycans; Lvnn A. Gennaro’; Jeannine Delaney]; David J. Harveg; Paul Vouros’; ‘Northeastern University, Boston, MA; ‘University of Oxford, Oxford, UK Structural Analysis of Permethylated Glycans by MALDI Qq TOF Mass Spectrometry; Nellv Viseux’; David H. Hawke2; Bruno Domon’; ‘Biogen Inc., Cambridge, MA; 2Applied Biosystems, Foster City, CA Fragmentation of Carbohydrates and Glycosphingolipids with a Tandem-Quadrupole-Time-of-Flight (Q-TOF) Mass Spectrometer Fitted with a Matrix-Assisted Laser DesorptionlIonization (MALDI) Ion Source; David J. Harvey; Victoria Hunnam; University of Oxford Oxford, UK Comparison of Conventional ES1 and NanoESI for the Analysis of Carbohydrates; Andrea Schneider’; Arnd Ingendoh’; Barbara Mischnik2; Victor Furse?; ‘Bruker Daltonik GmbH, Bremen, Germany; 2Technical University Braunschweig, Braunschweig, Germany; ‘Bruker Daltonics Inc., Billerica, MA The Study of K+ Adduct Ions of Polysaccharide Ion Complex Excitated by Cs+ in Electrospray Ionization /Time of Fllght Mass Specmetry; Yin-Long Guo’; Shou- Gang Hu’; Long Lu’; Geng-Yuan Tian’; Vince C. Gao2; ‘Shanghai Institute of Organic Chemistry, Shanghai, China; 2Applied Biosystems, Foster City, CA Structural Analysis of Neutral Oligosaccharides by Straight-phase CEC-ESI-MS/MS; Amv H. Oue; Milos V. Novotny; Indiana University, Bloomington, IN Exhaustive Characterization of Human Bile-Salt- Stimulated Lipase O-Linked Oligosaccharides by TWO Dimensional Chromatography and MALDUTOF MS; Yehia S. Mechref; Yunping Huang; Milos V. Novotny; Indiana University, Bloomington, IN

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Rapid and Sensitive Differentiation of Anomers, Linkage and Position Isomers of Disaccharides Using High-Field Asymmetric Waveform Ion Mobility Spectrometry MPL 294 (FAIMS); Woiciech Gabrvelski’; Kenneth Froese’; Steve E. Hrudey’; Randy W. Purves*; Roger Guevremont*; ‘University of Alberta, Edmonton, Canada; 2National Research Council of Canada, Ottawa, Canada Structure elucidation of Hexaglycoside Derivatives MPL 295 Obtained from Keratan Sulfates by Ion Trap MS and (MS)n; Masavuki Kubota’; Rie Mizoguchi*; Mamoru Ohashi*; Keiichi Yoshida3; Akira Tawada3; ‘ThermoQuest K.K., Tokyo, Japan; ‘Kanagawa University, Kanagawa, Japan: 3Seikagaku Corporation, Tokyo, Japan Linkage Specificity in Collision Induced Decompositions of Negative Ion ES&Generated Chloride Adducts of MPL 296 Oligosaccharides; Junhua Zhu; Richard B. Cole; University of New Orleans, New Orleans, LA Suppression of Sialylated by Sulfated Oligosaccharides in Negative MALDI-FTMS; Hvun Joo An; Carlito B. Lebrilla; University of California, Davis, CA MPL 297 New Oligosaccharide Labels and Evidence for Long- Range Glycosyl Transfer Reactions in the Gas Phase; Andreas H. Franz; Tadeusz F. Molinski; Carlito B. Lebrilla; Universitv of California, Davis, California Comparison of “IRMPD and SO”RI-CID for Structural Analysis of Derivatized and Native Oligosaccharides; MPL 298 Nancv Levmarie; Ekaterina Mirgorodskaya; Shiu-Yung Chan; Catherine E. Costello; Boston University School of Medicine, Boston Analysis of Wheat Arabinoxylans by MALDI and ES1 Mass Spectrometry; Lobvi Ernest0 Matamoros Femandez’; Nicolai Obey; Henrik Schelle?; Peter Roepstort?; MPL 299 ‘University of Southern Denmark, Odense, Denmark; 2 Veterinary and Agricultural University, Copenhagen, Denmark Structural Investigation of 0-glycans Derived from Plant MPL 300

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Caliofornia, Davis, CA; ‘Section of Molecular & Cellular Biology, Davis, CA Characterization and Quantitation of Heparan Sulfate Oligosaccharides by Nano-Electrospray Mass Spectrometry; Christina S. Raska; R. Marshall Pope; Suzanne C. Thorpe; Jian Liu; University of North Carolina, Chapel Hill, NC Identification of Cardiolipins in Bacillus Stearothermophilus NRS 20004/3a by Positive and Negative Ion Nano ESI-QTOF-MS and MS/MS; Anke I. Beckedorf’; Christina Schaeffe?; Paul Messne?; Jasna Peter-Katalinic’; ‘Institute for Med. Phys. and Biophysics, Muenster, Germany; 2Zentrum j&er Ultrastrukturforschung, Wien, Austria Characterization of Glycosylation Expression of Human Plasma Derived Angiostatin; Mark E. McComb’; Steven Pirie-Shepherd’; Catherine E. Costello’; ‘Boston University School of Medicine, Boston, MA; 2Children’s Hospital, Boston, MA Comparative ESI, MALDI, HPAEC-PAD, and FACE Studies of N-Linked Oligosaccharides from a Monoclonal Antibody Produced in Continuous Culture: Effect of Dissolved Oxygen Concentration; Jeremv P. Ktmkel; Julian A. Saba; Helene Perreault; James C. Jamieson; Dept. of Chemistry, University of Manitoba, Winnipeg, Canada Characterization of Glycosylation Sites on Human Beta 1 Integrin Chain; Oleg V. Krokhin’; Werner Ens’; Kenneth Standing’; Keding Chen’; John Wilkins*; ‘U of Manitoba TOF Lab, Winnipeg, Canada: 2University of Manitoba RDR Lab, Winnipeg, Canada; ‘Moscow State University Chemistry Dept., Moscow, Russia Inhibitor Analysis using Electrospray-Ionization Mass Spectrometry and Multiple Reaction Monitoring; Andrew J. Norris; Julian P. Whitelegge; Kym F. Faull; Tatsushi Toyokuni; UCLA, Los Angeles, CA

Material by the Use of the HILIC HPLC Separation and LIPIDS, 301- 320 ESI-Mass Spectrometry; Vladimir V. Tolstikov; Baichen MPM 301 Ouantitation of Tissue Concentrations of Long Chain Zhang; Wolfram Weckwerth; Oliver Fiehn; m04F’, Golm, Germany Determination of Glycan Composition and Structure in Potato Peroxidase; Julian A. Saba’; Maciej P. Bromirsk?; Werner Ens’; Kenneth G. Standing*; Mark A. Bemards3; Helene Perreault’; ‘Dept. of Chemistry, University of Manitoba, Winnipeg, Canada; ‘Dept. of Physics, University of Manitoba, Winnipeg, Canada; 3Dept. of Plant Sciences, U

MPM 302

of W. Ontario, London, Canada Xylanase Catalyzed Hydrolysis of Xylooligosaccharides Studied by ESI-FTICRMS; Janne Janis; Juha Rouvinen; MPM 303 Pijo Vainiotalo; University of Joensuu, Joensuu, Finland Metabolomic Characterization of Transgenic Plants Using GC/TOF and LC/QTOF; Wolfram Weckwerth; Vladimir V. Tolstikov; Oliver Fiehn; Max-Planck-Inst. MPM 304 Molec. Plant Physiology, Potsdam, Germany Structural Characterization of N-Acetylglucosamine- Containing Lipids (Phytoglycolipids) from Tobacco Flowers and Suspension-Cultured Tobacco Cells; G m’; Steven Leve$; Philippe Roche3; Alan Darvill*;

MPM 305

Peter Albersheim*; Ron Orlando*; ‘WSDA Lab Services, Yakima, WA; 2CCRC, University of Georgia, Athens, GA;

Fatty AcylCoA (LCACoAs), Diacylglycerol (DAG) and Ceramides Using LC/MS/MS Method; Chunli Yu’; Gary W. Cline’; Sai Chang3; Gerald I. Shulman*; ‘Yale University School of Medicine, New Haven, CT; ‘Howard Hughes Medical Institution, New Haven, CT; ‘Applied Biosystems, Inc, Framingham, MA

‘INRA-CNRS, Orleans, France

GLYCOBIOLOGY, 293 - 300 MPM 306 MPL293 A Method for Quantitative Comparison of

Oligosaccharide Expression Levels in Individual Cells; Jun Liu’; Yongming Xie’; Jerry L. Hedrick*; Carlito B. Lebrilla’; ‘Department of Chemistry University of MPM 307

Chronic Caffeine Treatment of Aged Rats Causes the Change of Plasma Lipids: LCIES-MS Analyses of Phospholipids from the Rat Plasma; Su Chen; Shuang Yong Ma; Rush Medical College, Chicago, IL Substrate Specificity in Phosphatidylserine Synthesis and Degradation Monitored by Reversed Phase HPLClElectrospray Mass Spectrometry; Jillonne Kevala; Hee-Yang Kim; National Institutes of Health, Rockville, MD 5-oxo-Eicosatetraenoic Acid Production in the Lung Homogenates of a Murine Model of Allergic Asthma; Rebecca C. Bowers; Robert C. Murphy; National Jewish Medical/Research Center, Denver, Colorado Structural Determination of Minor Fatty Acids in Algal Oil and Primate Brain Using Acetonitrile Chemical Ionization Tandem Mass Spectrometry; Anthonv L. Michaud; Guan-Yeu Diau, J. Thomas Brenna; Cornell University, Ithaca, NY Kinetic Information for PLA2 Enzyme by LC-MS; Martin Sadilek; Farideh Gomashchi; Michael H. Gelb; Department of Chemistry, University of Washington, Seattle, WA Use of Different Electrospray-MS/MS Approaches for a Rapid Characterization of Phospholipidic Classes of

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49’ ASMS Conference on Mass Spectrometry

Curosurf@, a Natural Pulmonary Surfactant; Nicola COMPUTER APPLICATIONS, 321- 348 ?elizzi; Silvia Catinella; Margherita Zanol; Chiesi h4PN 321 Use of Stable Labeled Comnounds for Determination of a rarmaceutici s.p.a, Parma, Italy Structural Determination of Lysopbospbatidylcholines Extracted from Marine Sponges by Fast Atom Bombardment Tandem Mass Spectrometry; Kun Cho’; long Shin Yoo’; Jee H. Jung’; Jongki Hong’; ‘Korea Basic Science Institute, Daejeon, Korea; 2Pusan National University, Pusan, Korea 4 Metabolomic Approach to Profiling of Membrane Lipid Compositional Dynamics in Stress Responses in Qrabidopsis; Todd D. Williams’; Homigol Biesiada’; Maoyin Li2; Yongming Sang*; Han-E Zhou2; Channa Rajasheka?; Xuemin Wang2; Ruth Welti2; ‘University of Kansas, Lawrence, KS; 2Kansas State University,

Manhattan, KS Site-directed Fragmentation of Neutral and Polar Lipids by Ag’ in Coordination Ion Spray Mass Spectrometry; M. Lisa Manier; Christine M. Havrilla; Ginger J. Lohr; Ned 4. Porter; David L. Hachey; Vanderbilt University, Irashville, TN Multiple Scan Modes for the Analysis of Leukotrienes; $sa Brunnstrom; Hans-Erik Claesson; William J. Griffiths; Karolinska Institutet, Stockholm, Sweden GCMS and HPLC Profdes of Pathogenic Fungi; petra Miketova; Karl H. Schram; Ida M. (Ki) Moore; Michael L. Graham; University of Arizona, Tucson, AZ Structural Analysis of Phospholipid Molecular Species by Postsource Decay Matrix-Assisted Laser Desorption lonization Mass Spectrometry; Khalid A. Al-Saad; Vlad Zabrouskov; William F. Siems; N. R Knowles; Richard M. Hannan; Herbert H. Hill Jr; Washington State Universily, Pullman, WA Analysis of Neurosteroids in Brain by Nanoscale Capillary Liquid Chromatography/Micro-Electrospray Mass Spectrometry; Suva Liu; Jan SjBvall; William J. Griffiths; Karolinska Institutet, Stockholm, Sweden Linoleic Acid Oxidation Catalyzed by Nickel Complexes; [Peter) Ghana-nan Chen’; Patrick R. Jones’; 0. David Sparkman’; Andrew Yeh2; ‘University of the Pact&,

Stockton, CA; 2Tunghai Christian University, Taichung,

Taiwan, ROC High Resolution UV-MALDI-MS and sPSD-Analysis of Triacylglycerols from Plant Oils; Gerald Stuebizer’; Ernst Pittenaue?; Kathryn Ralphson3; Guenter Allmaier’; ‘Institute for Analytical Chemistry, Vienna, Austria: ‘Federal Research Centre for Agriculture, Vienna, Austria: ‘Kratos Analytical, Manchester, UK A Fully Automated Atmospheric Pressure Chemical Ionization Mass Spectrometry Method for the Analysis of Ceramides in Human Cell Lines; John E. Hughes; Bhasha Desai; Jay C. Strum; Kathleen I. MacKenzie; Glaxo SmithKline, RTP, NC Metabolic Pathway Analysis Focused on Lipid Mediators by Electrospray Ionization-Mass Spectrometry; Mayuko Ishida; Masayoshi Imagawa; Rvo Taauchi; Nagoya City University, Nagoya, Japan Analysis of Complex Mixtures of Neutral Lipids by Normal Phase Chromatography with Electrospray Mass Spectrometry; Jonathan M. Curtis; Stacey Owen; Tanya MacGillivray; Ocean Nutrition Canada, Halifax, Canada Analysis and Characterisation of Large Mycolic Acid Molecules by Electron Capture HPLC-APCI-MS; Anthony I. Mallet’; Angela M. Gemaey; Janet E. Redman2; David E. Minnikin2; ‘University of Greenwich, London, UK; 2University of Newcastle, Newcastle, UK

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Drug’s Metabolic Fate hr a Complex Matrix; Eva Duchoslav’; Lyle Burton’; Joem Krause’; Thomas Fechnerz; Ulrich Pleiss3; Kerstin Hucke3; Karl Schmeer3; ‘Sciex, Toronto, Canada; ‘Applied Biosystems, Langen, Germany; ‘Bayer AG, Wuppertal, Germany A general protocol for assembly and consultation of a microbiological spectral library; Jon G. Wilkes’; Larry G. Rushing’; Manuel Holcomb’; Rebecca A. Wynne’; Fatemeh Rafli’; Susan A. McCarthg; Simon Letarte3; Michel J. Bertrand3; ‘National Center, Toxicological Research,

Jefferson, AR: 2Ctr for Food Safety & Applied Nutrition, Dauphin Island AL; ‘University of Montreal, Montreal, Canada Use of Masking to Improve Characterization of Bacteria Based on their MALDI/TOF Mass Spectra Using Pattern Recognition Techniques; Martha L. Gay; Frederick S. Fry; Denis Andrzejewski; Steven M. Musser; Food and Drug Administration, Washington, DC Classification of GC-MS Data of Epicuticular Hydrocarbons from Tetramorium Ants by Self-

Organizing Maps for Morphological Determinations; Alexei Nikiforov’; Birgit Schlick-Steine?; Florian Steine?; Roland Kalb’; Robert Mistrik3; ‘Institute of Org Chemistry - University Vienna, Vienna, Austria; 21nst. of Zoology - University Agriculture, Vienna, Austria; ‘HighChem Ltd., Bratislava, Slovakia Identifying Unknowns with LC/MS/MS Data Using TSCA Chemical Inventory or SciFinder; James L. Little; Eastman Chemical Company, Kingsport, TN Development of Searchable Pesticide MS and MS-MS Libraries; Jane K. Klassen’; Steven J. Lehotag; Quan-long Pu’; Joseph M Conny’; ‘NIST, Gaithersburg, MD; 2USDA, Wyndmoor, PA Automated Data Capture and Retrieval: Linking Open Access Analysis to a Scientific Desktop Application; Thomas McLellan’; Qing Liao2; Steve Trudel’; Douglas Phillips’; Michele Kelly’; ‘Pfizer Global R&D, Groton, CT; ‘Harvard University, Boston, MA Development of a Visual Basic Application to Automate Data Acquisition, Processing, and Sample Tracking on a Multiplexed Quadrupole LC/MS System; Ronada Xu’; Zhe Cai’; Andrew Brailsford2; Brian W. Smith2; Daniel B. Kassel’; ‘DuPont Pharmaceuticals Research Labs, San Diego, CA; ‘Waters Corporation, Milford, MA Building Data Libraries for Mass Spectrometric Analysis of Drug Sample Collections; Lan Gao; Carl Beckner; Ken Matuszak, Xueheng Cheng; Hua Tang; David Bums; Abbott Laboratories, Abbott Park, IL The Use of a Web Based System for the Global Sharing, Archival, Retrieval and Visualization of Mass Spectrometry and Associated Data; Dario Fiore’; Kathy O’Dea’; David Varley; Steve Smith’; Gary Harland2; ‘Scienttjic Soffware, Inc, Pleasanton, CA; 2Micromass UK Ltd., Manchester, UK Cross-Platform Image Correlation; T. Gregorv Schaae; Peter J. Todd’; John M. McMahon’; Anthony Majahad2; ‘Oak Ridge National Laboratory, Oak Ridge, TN; 2ETEX Corporation, Cambridge, MA Improved Protein Sequence Mapping Capability with MALDI Quadrupole Time of Flight Instruments; &&& Gentzel. Matthias Wilm; EMBL, Heidelberg, Germany -, A High-throughput Proteomics Data Station for Complex Data Handling, Integration, Automation, and Bioinformatics; Weioun Li; Jim Bernstein; Sue Peng; Dave Anderson; Rigel Inc., S. San Francisco, CA

49’ ASMS Conference on Mass Spectrometry

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Optimization of Algorithms for Searching Protein Databases; Eric van Uvtven’; Werner Ens’; Kenneth G. Standing’; Ronald C. Beavis’; ‘University of Manitoba,

Winnipeg, Canada; 2Proteometrics Canada, Winnipeg,

Canada MassAnalyzer - A Program for Fully Automated Protein and Peptide LClMS Data Analyses; Zhonaai Zhanq; Amgen Inc., Thousand Oaks, CA Evaluation of Algorithms for PMF Protein Identification Using a High Throughput Database Integrated Control and Retrieval System; Daniel C. Chamrad’; Gerhard Kbrting’; Kai Smhler’; Joachim Klose3; Helmut E. Meyer’; Martin Bltiggel 2; ‘Proteinstrukturlabor, Ruhr-Universittit, Bochum, Germany; 2Bochum, Germany; ‘Charite Universitat Sklinikum, Berlin, Germany An Algorithm for Disulfide Mass Mapping Based on Partial ReductionKyanylationKN-Induced Cleavage; Jianfenp, Oi; Wei Wu; Eric Tomg; J. Throck Watson; J. Throck Watson; Michigan State University, East Lansing, Ml Automated Molecular Assignment of Positive Ion Electrospray Mass Spectra for “Unknown” Compounds; Jon D. Williams; Brian E. Weiner; James R. Ormand; Jimmy Bruner; David J. Burinsky; GlaxoSmithKline, RTP, NC Automated Molecular Weight Determination from Adducts of ES1 Spectra for Library Search; Miriam Rittner’; Peter Sande?; Amd 1ngendoh2; Bemd Jastorff’; ‘Center for Environmental Technology Bremen, Germany; 2Bruker Daltonik GmbH, Bremen, Germany Compare LCMS - Extracting Component Differences in Similar LC/MS Data Sets; Antonv Williams’; Vital Lashin’; Ilya Troisky’; William Nichols’; Willem Windi H ; ‘Advanced Chemistry Development, Toronto, Canada; 2Eastman Kodak Company, Rochester, NY Automated Deconvolution of Protein Mass Spectra Obtained by Electrospray Mass Spectrometry; Martin w; Dimo Zidarov; Michel J. Bertrand; University of Montreal, Montreal, Canada A Computational Model for Predicting Electrospray Ionization Polarity Based on Chemical Structure. Adam H. Brockman; Dave M. Potter; James F. B&&John Janiszewski; Mark J. Cole; P$zer Inc., Groton, CT A Simple Algorithm Improves Mass Accuracy to 50 ppm for Linear Delayed Extraction MALDI-TOF Measurements; Christonher A. Hack; W. Henry Benner; Lawrence Berkeley National Laboratory, Berkeley, CA A Novel Approach for Process Control of Mass Spectral Data; Kristin H. Jarman; Sharon T. Cebula; Nancy B. Valentine; Catherine E. Petersen; Jon H. Wahl; Karen L. Wahl; Pacific Northwest National Laboratory, Richland WA Improved Mass Spectrometric Peak Detection by Accounting for Variable Noise Levels; Anthonv G. Ferrite’; M. Robert Alecio’; R. Stuart Ray’; Jon P. DeGnore’; Keith A. Waddell”; Xiaokni K. Zhang3; ‘Positive Probability Limited, Isleham, U.K; 2Applied Biosystems, Framingham, MA; 3Genzyme Corporation, Framingham, MA A New Approach for Automatic Data Reduction and Evaluation in High Resolution Time-of-Flight Mass Spectrometry Using a Time-to-Digital-Converter Data Recording System; Valeri V. Raznikov’; Alexander R. Pikhtelev’; Alexander F. Dodonov’; Marina 0. Raznikova’; ‘Inst. of Energy Problems of Chem. Phys., Chemogolovka, Russia; 21nstitute of Problems of Chem. Phys., Chernogolovka, Russia A New Echelle-Type Display for Visual Assignment of Ultrahigh-Resolution Mass Spectra; Alan G. Marshall’;

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Christine A. Hughe?; Ryan P. Hendrickson’; Kuangnan Qian3; Field Laboratory, Tallahassee, University, Tallahassee, FL;

Engineering, Annandale, NJ

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Rodgers’; Christopher L. ‘National High Magnetic Florida; 2Florida State 3E.xxonMobil Research

High-Throughput Cl and El-MS Analysis and Data Interpretation for Structural Confirmation of Synthesized Drug Candidates; Timothv J. Nieuwenhuis’; Bnmo J. D. Vansina’; David M. Guide’; James E. Carlson’; Olga V. Nemirovski?; W. Rodney Mathews’; ‘Pharmacia Corporation, Lalamazoo, Ml; 2Monsanto Corporation, St. Louis, MO

MATERIALS SCIENCE, 349 - 352

MPO 349 Evaluation of Stabilitv of Self-Assembled Monolayers in

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Biosensors; Weihong” Gong; Ingrid Fritsch; Charles L. Wilkins; University of Arkansas, Fayetteville, AR Novel Routes for Synthesis and Patterning of Surfaces through Low-Energy Ion Deposition; Nathan A. Wade; Chris A. Evans; Sung-Chan Jo; R. Graham Cooks; Purdue University, West Lafayette, IN Characterization of Multimetallic Grid-Type Complexes

by Electrospray Mass Spectrometry; Helene Nierengarten’; Emmanuelle Leize’; Jean-Marie Lehn’. Alain Van Dorsselaer’; ‘University Louis Pasteur-CNRS-L&%7 Strasbourg, France; 2University Louis Pasteur CNRS-ISIS, Strasbourg, France Hydrogen Generation From Metal-Based Chemical

_ . _ . __- Reactive Heaters; Joel Carlson; Joseph Jordan; US Army SBCCOM- Natick Soldier Center, Natick, MA

MS IN SPACE, 353 - 354

MPP 353 The ROSINA-RTOF Sensor - A Reflectron Time-of- Flight Mass Spectrometer for the Rosetta Comet Rendezvous Mission; Mark Mildner’; Kathrin Altwegg’; Annette Jackel’; Peter Wurz’; Hans Balsiger’; Claude Aoustin2; Heti Reme2; Alexander Loose3; Andreas Lagg3; Axe1 Korth3; Bjijm Fiethe4; Hunter Waiter’; ‘University of Bern, Bern, Switzerland; ‘Centre d’Etude Spatiale des Rayonnements, Toulouse, France; ‘Mar-Planck-Institut fur Aeronomie, Katlenburg, Germany; 4Technische Universitat, Braunschweig, Germany; ‘Southwest Research Institute, San Antonio, TX

MPP 354 A Quadrupole Ion Trap Mass Spectrometer for Quantitative Analysis of Nitrogen-Purged Compartments within the Space Shuttle; Andrew K. Ottens’; Timothy P. Griffin2; Richard A. Yost’; ‘University of Florida, Dept of Chemistry, Gainesville, FL; 2Dynacs Engineering Company, Inc., Kennedy Space Center, FL

METAL CLUSTERS, 355 - 361 MPQ 355 Lifetime Distribution of Cluster Ions from Sputtering Ion

Source; Takava Satoh; Hiroyuki Ito; Toshio Ichihara; Itsuo Katakuse; Osaka Universitv. Osaka, Japan Metal Selectivity in the ‘Formation of Metallofullerenes and Metallocarbohedrenes Investigated by Laser Ablation FTICR Mass Spectrometry; Rui Zhanq; Keith J. Fisher; Gary D. Willett; The University of New South Wales, Sydney, Australia Formation of Silver Clusters in Argon Droplets; Irene I m; Wilfried Schulze; Gerhard Ertl; Fritz-Haber-Institut der MPG, Berlin, Germany Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometric Characterization of Supermolecular Self-Assembled Transition Metal Ion Clusters; Robert E. Bossio’; Brian D. Moulton2; Michael Zaworotko2; Alan G. MarshalP; ‘Florida State University, Tallahassee, FL; 2University of South Florida, Tampa, FL; 3National High Magnetic Field Laboratory, Tallahassee, FL

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MPQ 359 ES1 MS in the Detection of Diiron Catalytic Species in Biomimetic Oxidation Reactions; Kirsten H. Lund’; Christine J. McKenzie’; Richard H. Fish’; ‘University of Southern Denmark, Odense, Denmark; 2University of California, Berkeley, CA

MPQ 360 Two Case Studies of Nano-ES1 MS Analysis of Inorganic Complexes; Jessica Lucas; John M. Koomen; Cristian S. Campos-Fernandez; Kim R. Dunbar; Mason Haneline; Julie Beckwith; Francois Gabbai; David H. Russell; Texas A&M University, College Station, TX

MPQ 361 Characterization of Uranium Speciation on the Surface Using Static SIMS; Garv L. Gresham; Gary S. Groenewold; Anthony D. Appelhans; John E. Olson; Bruce J. Mincher; Jani C. Ingram; INEEL, Idaho Falls, ID

49” ASMS Conference on Mass Spectrometry