ANZSMS-19 Conference Program

©Copyright 2003, ANZSMS Inc.


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MONDAY ORALS

MoO-01 Plenary Lecture
ELEMENTARY STEPS IN METAL-MEDIATED OXYGENATION OF HYDROCARBONS: AN INTERSECTION OF EXPERIMENT AND THEORY
Helmut Schwarz

MoO-02
GAS PHASE REACTIONS OF ANIONS WITH ORGANIC HYDROPEROXIDES (ROOH)
Stephen Blanksby, Shuji Kato, G. Barney Ellison and Veronica M. Bierbaum

MoO-03
THE GAS PHASE SYNTHESIS OF CUMULENE OXIDES
Mark Fitzgerald, Salvatore Peppe, Stephen J. Blanksby, Suresh Dua, and John H. Bowie

MoO-04
GAS PHASE GENERATION OF HCCCS AND CCCHS RADICALS FROM ANIONIC PRECURSORS. THE REARRANGEMENT OF CCCHS TO HCCCS
Salvatore Peppe, Suresh Dua, Andrew M. McAnoy and John H. Bowie

MoO-05 Keynote Lecture
BOND ENERGIES OF MOLECULAR FRAGMENTS TO TRANSITION METAL CLUSTERS
Rohana Liyanage, Xiao-Guang Zhang, Fuyi Liu and Peter B. Armentrout

MoO-06
GAS PHASE CATALYSIS - INVESTIGATING THE SITE OF REACTION IN MIXED METAL OXIDE ANIONS
Tom Waters, Richard A. J. O'Hair and Anthony G. Wedd

MoO-07
THE PROPIONYL CATION HEAT OF FORMATION REVISITED
Zoë A. Harvey and John C. Traeger

MoO-08 Plenary Lecture
RECENT DEVELOPMENTS IN IONIZATION METHODS FOR MASS SPECTROMETRY: AN OVERVIEW AND PROSPECTS
Gary J. Van Berkel

MoO-09
FT/ICR MASS SPECTROMETRY OF MOLYBDENUM-OXYGEN CLUSTERS: THE POLYOXOMOLYBDATES
Gary D. Willett, Elmer C. Alyea and Keith J. Fisher

MoO-10
INVESTIGATION OF POLYOXOTUNGSTATES IN THE SOLID AND GASEOUS STATES UTILISING X-RAY CRYSTALLOGRAPHY AND FT-ICR MASS SPECTROMETRY
Simon P. Edwards, Keith J. Fisher, Donald C. Craig and Gary D. Willett

MoO-11
UNUSUAL COVALENT BOND BREAKING REACTIONS IN THE NON-COVALENT COMPLEXES OF BETA-CYCLODEXTRINS AND NUCLEOBASES/NUCLEOSIDES
Ana K. Vrkic, Richard A. J. O'Hair and Carlito B. Lebrilla

MoO-12
THE APPLICATION OF A NITROGEN-COOLED ION MOBILITY TIME-OF-FLIGHT MASS SPECTROMETER TO THE SEPARATION OF THE CONVENTIONAL AND DISTONIC RADICAL CATIONS OF CH3OH, CH3NH2, AND CH3F
Guido F. Verbeck and David Russell

MoO-13
"LASTGASPOLOGY" - DEVELOPMENT OF GASEOUS GCMSN TECHNIQUES FOR FORENSIC APPLICATIONS
Stewart Walker

MoO-14
PERFORMANCE CHARACTERISTICS OF A NEW ESI-TOF MASS SPECTROMETER
Michael J. Flanagan, Linda L. Lopez and Donghui Yi



MONDAY POSTERS

MoP-01
ADVANCES IN AUTOMATED METABOLITE IDENTIFICATION USING DE-CLUSTERING AND DATA-DIRECTED MS/MS EXPERIMENTS WITH AN ORTHOGONAL TIME OF FLIGHT MASS-SPECTROMETER
Jose Castro-Perez, Steve Preece, Jane Kirby and Gary Harland

MoP-02
DEVELOPMENT OF COMBINATORIAL CHEMISTRY LIBRARIES FOR TRACE COMPOUNDS IN PLANT OILS USING FTICR MASS SPECTROMETRY
A. M. Fard, A. G. Turner and G. D. Willett

MoP-03
THE USE OF C60 AS A MATRIX FOR THE STUDY OF IONS FROM INORGANIC SYSTEMS
Keith J. Fisher

MoP-04
THE IDENTIFICATION AND QUANTIFICATION OF GINGKOLIDES AND BILOALIDES IN CHINESE HERBAL MEDICINES
Tabisam Khan, Gordon Kearney, Amir Farooq and Sheng Long-Sheng

MoP-05
TOF-SIMS ANALYSIS OF HAIR FROM ARCHEOLOGICAL REMAINS
I. M. Kempson, W. M. Skinner, P. K. Kirkbride, R. R. Martin and A. J. Nelson

MoP-06
SCREENING FOR ENVIRONMENTAL ENDOCRINE DISRUPTORS IN WATER SAMPLES BY GC/MS
John F. Leeder and Peter G. Cullis

MoP-07
AN HPLC-MS METABONOMICS APPROACH TO THE STUDY OF RAT URINE AFTER DOSING WITH HYDRAZINE
Hilary Major, Andrew Nicholls, John Shockcor and Jose Castro-Perez

MoP-08
HIGH THROUGHPUT CHARACTERISATION OF NATURAL PRODUCTS USING MULTIPUMP CONTROL LC-MS EXACT MASS MEASUREMENT
M. McCullagh, C. A. M. Pereira and J. H. Yariwake

MoP-09
LC-MS/MS FOR THE ANALYSIS FOR NITROFURAN RESIDUES AT PPT LEVELS
Annabel Mitchell and Zicheng Yang

MoP-10
TRACE ELEMENT DETERMINATION IN NATURAL WATERS USING ORTHOGONAL TIME OF FLIGHT ICP-MS
Anna Skroce and Matthew McCrum

MoP-11
DETERMINATION OF POLYCHLORINATED DIBENZO-P-DIOXINS AND POLYCHLORINATED DIBENZOFURANS AND DIOXIN-LIKE POLYCHLORINATED BIPHENYLS IN COD LIVER OIL BY HIGH RESOLUTION GAS CHROMATOGRAPHY HIGH RESOLUTION MASS SPECTROMETRY
R. K. Symons, D. Burniston, R. Jaber, E. J. Murby, N. Piro, M. Trout and A. Yates

MoP-12
AN APCI-LC-MS/MS METHOD FOR RAPID QUANTITATIVE ANALYSIS OF TEN PHYTOESTROGENS IN HUMAN URINE
Bruce N. Tattam, Tam C. Ha and Douglas E. Moore

MoP-13
WHERE THERE IS SMOKE, THERE ARE FURANS
M. Trout, D. Burniston, N. Piro and R. K. Symons

MoP-14
TANDEM MASS SPECTROMETRY STUDY OF METABOLIC TRANSFORMATIONS OF THE ANTITUMOR DRUG TIRAPAZAMINE
Dmitri V. Zagorevskii

MoP-15
DESIGNING METAL COMPLEXES TO GENERATE RADICAL CATIONS OF PEPTIDES IN THE GAS PHASE
Chris Barlow, Sheena Wee, Richard A. J. O'Hair and W. David McFadyen

MoP-16
A STUDY OF METAL ION ATTACHMENT TO NON-IONIC SURFACTANTS BY ELECTROSPRAY IONIZATION MASS SPECTROMETRY
Khaled Edbey, Grainne Moran and Gary Willett

MoP-17
ASSOCIATION REACTIONS IN TITAN'S IONOSPHERE
Murray J. McEwan, Colin G. Freeman, Paul F. Wilson and Vincent G. Anicich

MoP-18
LIGAND EFFECTS IN GAS PHASE ION-MOLECULE REACTIONS OF GRIGNARD AND ORGANOCUPRATE REAGENTS
Patrick F. James, Richard A. J. O'Hair and Ana K. Vrkic

MoP-19
UNIQUE ANIONIC SPECIES REVEALED IN THE MASS SPECTROMETRY OF FULLERENE SYSTEMS
George Khairallah and J. Barrie Peel

MoP-20
EVALUATION OF A NEW NANO-ELECTROSPRAY SOURCE FOR THE FINNIGAN MAT 900
Catrin Goebel, Graham Trout and Rymantas Kazlauskas

MoP-21
SCATTERING OF IONS PASSING THROUGH ACCELERATOR GRIDS WITH RECTANGULAR REPEAT CELLS: THE APPROACH ANGLE DEPENDENCE OF INDUCED KINETIC ENERGY SPREADS
Mark Lewin, Michael Guilhaus, Frank Read, Jason Wildgoose, John Hoyes and Bob Bateman

MoP-22
USING THE LABVIEW® PROGRAMMING ENVIRONMENT TO CREATE CUSTOMISABLE INSTRUMENT CONTROL AND DATA ACQUISITION SOFTWARE FOR A HOME-MADE MALDI-OA-TOF MASS SPECTROMETER
David S. Selby, Victor V. Mlynski and Michael Guilhaus



TUESDAY ORALS

TuO-1 Plenary Lecture
ISOTOPE-RATIO MONITORING: TECHNIQUES AND THE BIOGEOCHEMISTRY OF 2H, 13C, AND 14C (VIA AMS)
John M. Hayes

TuO-02
USING MASS SPECTROMETRY TO ANALYZE INTACT OCEANIC SEDIMENTARY PROTEINS
Brook Holcombe and Richard Keil

TuO-03
MASS SPECTRAL CHARACTERISTICS OF BRANCHED ALKANES AND THE DETECTION OF THE IRREGULAR ISOPRENOIDS CROCETANE AND PMI IN SEDIMENTS AND OIL
Paul F. Greenwood and Roger E. Summons

TuO-04
APPLICATIONS OF COMPOUND SPECIFIC D/H ISOTOPES TO PETROLEUM AND SEDIMENTS
Kliti Grice, Daniel Dawson, Robert Alexander and Robert I. Kagi

TuO-05
COMPARISON OF MICROPROBE TWO-STEP LASER DESORPTION/LASER IONISATION MASS SPECTROMETRY AND GAS CHROMATOGRAPHY MASS SPECTROMETRY FOR THE ANALYSIS OF ANCIENT ROCKS
G. A. Logan, T. B. Mahajan, F. L. Plows, J. S. Gillette and R. N. Zare

TuO-06
HIGH ACCURACY ANALYSIS OF BUTYLTIN SPECIES IN SEDIMENT BY ISOTOPE DILUTION MASS SPECTROMETRY
Richard Myors, Shane Askew and Lindsey Mackay

TuO-07
PRACTICAL ASPECTS OF NATURAL GAS ANALYSIS BY STABLE CARBON ISOTOPE MASS SPECTROMETRY
Christopher J. Boreham and Janet M. Hope

TuO-08
GAS PHASE INORGANIC IONS APPROACHING THE COMPLEXITY OF SOLID STATE SPECIES
Keith J. Fisher, Philip A. W. Dean, Gary D. Willett and Ian G. Dance



WEDNESDAY ORALS

WeO-01 Plenary Lecture
ANALYTICAL MASS SPECTROMETRY: TOP DOWN MS/MS WITH ELECTRON CAPTURE DISSOCIATION
Fred W. McLafferty, HanBin Oh, Kathrin Breuker, Huili Zhai, Ying Ge and Siu Kwan Sze

WeO-02
RAPID ANALYSIS OF VOLATILE FLAVOUR COMPOUNDS USING API-MS
E. N. Friel, R. S. T. Linforth and A. J. Taylor

WeO-03
APPLICATION OF LC/MS/MS TO THE ANALYSIS OF BENZODIAZEPINES IN BLOOD
Hazel Rivera, Noel Sims, Peter Stockham and Stewart Walker

WeO-04
VALIDATION OF A METHOD FOR FULL SCAN GC/MS CONFIRMATION OF RESIDUES OF CLENBUTEROL IN HUMAN URINE
Lee Whaites, John Murby, Ray Kazlauskas, Susan Soo and Graham Trout

WeO-05
NEW METHODS FOR THE ANALYSIS OF OXOSTEROIDS, OXYSTEROIDS AND OTHER OXYGENATED LIPIDS
W. J. Griffiths, S. Liu, G. Alvelius and J. Sjövall

WeO-06
IDENTIFICATION OF METABOLITES IN PLASMA AND URINE USING CAPILLARY LC COUPLED TO A HYBRID ORTHOGONAL TIME OF FLIGHT MASS SPECTROMETER EQUIPPED WITH NANOLOCKSPRAY
Steve Wilson, Steve Pringle, Kevin Giles, Hilary Major and Ashley Sage

WeO-07
DETERMINATION OF POLYBROMINATED DIPHENYL ETHERS IN ANIMAL FAT
R. K. Symons, D. Burniston, M. Croft, E. J. Murby, E. Paff and W. Korth

WeO-08
SCREENING FOR POTENTIAL WINE PIGMENTS IN RED WINE USING TANDEM MASS SPECTROMETRY
Yoji Hayasaka, Robert E. Asenstorfer and Markus Herderich

WeO-09 Plenary Lecture
LC-ESI-MS ANALYSIS OF CHEMICAL WARFARE AGENTS
Paul A. D'Agostino, James R. Hancock and Claude L. Chenier

WeO-10
MASS SPECTROMETRY: A ROLE IN CHEMICAL AND BIOLOGICAL HOMELAND SECURITY
Veronica T. Borrett and John C. Traeger

WeO-11
RATIONAL DESIGN OF MOLECULARLY IMPRINTED PLASTICS FOR SOLID PHASE EXTRACTION BY MS AND NMR
David Bourne and Simon Ellis-Steinborner

WeO-12
HIGH RESOLUTION COMPREHENSIVE 2D GAS CHROMATOGRAPHY WITH MASS SPECTROMETRIC DETECTION
Philip Marriott, Robert Shellie and Paul Morrison



WEDNESDAY POSTERS

WeP-01
THE QUANTITATIVE ANALYSIS OF MONOTERPENES IN AUSTRALIAN RIESLING WINES USING HEADSPACE SOLID PHASE MICROEXTRACTION AND GCMS
Nazanin Amini and John C. Traeger

WeP-02
DETERMINATION OF SELENIUM IN HUMAN SERUM BY LC/APCI-MS AFTER ACID DIGESTION AND ORGANIC DERIVATIZATION USING 2,3-DIAMINONAPHTHALENE
Masayuki Ando, Megumi Takizawa, Susumu Yamato and Kenji Shimada

WeP-03
A NEW APPROACH TO THE ANALYSIS OF OP INSECTICIDES EXPOSURE
Alex Oglobline

WeP-04
MULTIDIMENSIONAL CHROMATOGRAPHIC SEPARATION OF INTACT PROTEINS COUPLED WITH ATMOSPHERIC PRESSURE MATRIX ASSISTED LASER DESORPTION MASS SPECTROMETRY FOR RAPID, COMPREHENSIVE PROTEOMIC ANALYSIS
Alex Apffel, Hongfeng Yin and Viorica Lopez-Avila

WeP-05
A NOVEL APPROACH TO MALDI-TOF-MS SAMPLE PREPARATION
Robert Bateman, Ed Bouvier, Jeff Brown, Emmanuelle Claude, John Gebler, Dominic Gostick, Kevin Howes, Keith Compson, James Langridge, and John Peter Lee

WeP-06
INVESTIGATION OF LIPIDS ASSOCIATED WITH WHEAT GLIADIN PROTEINS USING ELECTROSPRAY IONISATION MASS SPECTROMETRY
Xavier Conlan, Anne McLachlan, Hugh Cornell, Frank Antolasic and Peter Cullis

WeP-07
COMPOSITION AND STABILITY OF JACK JUMPER VENOM BY ION TRAP MASS SPECTROMETRY
Noel Davies, Michael Wiese and Simon Brown

WeP-08
PROBING MOLECULAR INTERACTIONS IN COMPLEXES OF GEL-SEPARATED PROTEINS BY MASS SPECTROMETRY
Kenneth Mackun and Kevin M. Downard

WeP-09
SIFT-MS MEASUREMENT OF DISTRIBUTION COEFFICIENTS FOR VOLATILE ORGANIC COMPOUNDS IN HUMAN BLOOD CONSTITUENTS
Paul F. Wilson, Colin G. Freeman, Murray J. McEwan, Randall A. Allardyce and Geoffrey M. Shaw

WeP-10
AUTOMATED LC-MS/MS DATA ANALYSIS OF A NOVEL ALCOHOL DEHYDROGENASE FORM ISOLATED FROM PIGEON LIVER
Lars Hjelmqvist, Hans Jörnvall, Ronan O´Malley, Neil Swainston, Phillip Young, Alan Millar and James Langridge

WeP-11
METHYLATION OF A CYCLIC PEPTIDE DURING PREPARATION FOR MASS SPECTROMETRY
Lisa Hodgson, Kai Robinson and Peter Cullis

WeP-12
CHARACTERISATION OF PROTEIN GLYCOSYLATION BY ESI LC-MS/MS USING A PRECURSOR ION DISCOVERY METHOD ON A Q-TOF MASS SPECTROMETER
Neil Johnson, Mark Ritchie, John Hoyes, Alan Millar, Robin Carruthers, Chris Jones and James Langridge

WeP-13
AN INVESTIGATION INTO THE DYNAMIC RANGE OF PROTEIN IDENTIFICATION; MALDI VS ELECTROSPRAY ON A HYBRID QUADRUPOLE ORTHOGONAL ACCELERATION TIME-OF-FLIGHT (Q-TOF) MASS SPECTROMETER
James Langridge, Lu Yu, Alan Millar, Alicia Ma, Chris Hughes, Jyoti Choudhary, Dominic Gostick, Jeff Brown, John Hoyes and Richard Tyldesley

WeP-14
HIGH SENSITIVITY PHOSPHOPROTEIN ANALYSIS USING A COMBINATION OF VARIABLE FLOW CHROMATOGRAPHY AND PRECURSOR ION DISCOVERY ON A Q-TOF MASS SPECTROMETER
James Langridge, Alan Millar, Chris Hughes, Hans Vissers, Tad Dourdeville and Philip Young

WeP-15
PEPTIDE SEQUENCING USING CHEMICALLY ASSISTED FRAGMENTATION (CAF)-MALDI
Maria Liminga, Lena Hörnsten, Rama Bhikhabhai and Brian Hood

WeP-16
NANO LOCKSPRAY FOR ENHANCED MASS MEASUREMENT ACCURACY IN PROTEOMICS STUDIES
Alan Millar, James Langridge, Therese McKenna, Steve Pringle, Robert Bateman, Kevin Giles, John Hoyes and Phil Young

WeP-17
ESI-MS ANALYSIS OF SKELETAL MUSCLE PHOSPHOLIPIDS FROM EXERCISED AND SEDENTARY RATS
Todd W. Mitchell, Larry A. Hick, Stephen J. Blanksby, Margaret M. Sheil, Nigel Turner, Paul L. Else and Anthony J. Hulbert

WeP-18
A NOVEL O-ACETYLTHREONINE DIRECTING PEPTIDE BOND CLEAVAGE REACTION FACILITATES SEQUENCING OF THE CYCLIC HEXAPEPTIDES ASPERGILLICINS A-E
Richard A. J. O'Hair, Colin Skene and Robert J. Capon

WeP-19
PROBING THE IMMUNE PROTEOME: BIOCHEMICAL AND STRUCTURAL BASIS OF THE LIGAND SPECIFICITY OF CLOSELY RELATED HLA ALLELES
A. W. Purcell, W. Macdonald, D. S. Williams, N. Mifsud, J.J. Gorman, J. McCluskey and J. Rossjohn

WeP-20
ELECTROSPRAY IONIZATION MASS SPECTROMETRY (ESI-MS) AS A PROBE OF PROTEIN CONFORMATION
Stephen J. Watt, Pavel Prosselkov, Nicholas E. Dixon, Jennifer L. Beck and Margaret M. Sheil

WeP-21
RNASE-S PROTEIN-PEPTIDE COMPLEX STUDIED USING A RADICAL PROBE AND ELECTROSPRAY IONISATION MASS SPECTROMETRY
Jason W. H. Wong, Simin D. Maleknia and Kevin M. Downard



THURSDAY ORALS

ThO-01 Morrison Lecture
ELECTROSPRAY IONISATION MASS SPECTROMETRY OF GAS PHASE MACROMOLECULAR COMPLEXES: PROGRESS, PITFALLS AND PROSPECTS
Margaret M. Sheil, Jennifer L. Beck, Rajesh Gupta, Amit Kapur, Stephen Watt, Susan E. Brown and Nicholas E. Dixon

ThO-02
FRAGMENTATION OF PEPTIDES USING NEGATIVE ION ELECTROSPRAY MASS SPECTROMETRY
Craig S. Brinkworth and John H. Bowie

ThO-03
COMPARING THE FRAGMENTATION REACTIONS OF [M+H]+, [M+2H]2+ AND [M]•+ IONS OF 20 TRIPEPTIDES GXR
Sheena Wee, Richard A. J. O'Hair and W. David McFadyen

ThO-04
ELECTROSPRAY IONIZATION MASS SPECTROMETRY OF NON COVALENT PROTEIN-PROTEIN COMPLEXES - DNA POLYMERASE III SUBUNITS
Rajesh Gupta, Jennifer L. Beck, Samir Hamdan, Nicholas E. Dixon and Margaret M. Sheil

ThO-05 Plenary Lecture
ION MOBILITY-MASS SPECTROMETRY: CHALLENGES AND DESIGN CONSIDERATIONS FOR FUTURE INSTRUMENTATION
David H. Russell, Brandon T. Ruotolo, Kent J. Gillig, Holly A. Sawyer, Earle G. Stone and John McLean

ThO-06
CHARACTERIZATION OF THE FRAGMENTATION BY COLLISION INDUCED DISSOCIATION IN A MALDI TANDEM TIME-OF-FLIGHT MASS SPECTROMETER
Jennifer M. Campbell and Dale H. Patterson

ThO-07 Plenary Lecture
ICATTM, ICRAP, ICROC: EVOLVING METHODS FOR CYSTEINE CAPTURE AND STABLE ISOTOPE INCORPORATION FOR RELATIVE PROTEIN QUANTITATION
Min Shen, Alison Wallace, Lin Guo, Jeff Fitzner, June Eisenman and Richard S. Johnson

ThO-08
A TOP DOWN APPROACH TO PROTEIN STRUCTURAL STUDIES USING CHEMICAL CROSS-LINKING AND FOURIER TRANSFORM MASS SPECTROMETRY
G. H. Kruppa, Malin Young and J. Schoeniger

ThO-09
COMPLX - A COMPUTER ALGORITHM FOR THE DETECTION OF PROTEIN-LIGAND AND OTHER MACROMOLECULAR COMPLEXES IN MASS SPECTRA
Jason W. H. Wong and Kevin M. Downard

ThO-10
COMBINING SURFACE PLASMON RESONANCE WITH MASS SPECTROMETRY: A POWERFUL TOOL IN FUNCTIONAL PROTEOMICS
Jos Buijs, Andrei Zhukov and Östen Jansson

ThO-11 Keynote Lecture
SELECTIVE EXTRACTION OF LABELLED ENTITIES BY CHARGE DERIVATIZATION AND TANDEM MASS SPECTROMETRY (SELECT): A NOVEL APPROACH FOR IDENTIFICATION AND QUANTITATION OF DIFFERENTIAL PROTEIN EXPRESSION IN PROTEOMICS
Gavin E. Reid

ThO-12
DETERMINATION AND STRUCTURAL EXAMINATION OF POTENTIAL BIOMARKERS FOR METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS
Kathryn A. Jackson, Valerie Edwards-Jones, Andrew J. Fox, Koichi Tanaka and Chris W. Sutton



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