waters corporation at asms2013 · asms2013 waters corporation at minneapolis, minnesota june 8...

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Purposeful innovations are always the result of collaborative vision. ASMS 2013 WATERS CORPORATION AT MINNEAPOLIS, MINNESOTA JUNE 8 – 13, 2013 [ COLLABORATE. INNOVATE. SUCCEED. ] WATERS EXHIBIT BOOTH #132 June 9, 7:30 pm to 9:30 pm June 10 – 12, 9:00 am to 5:00 pm June 13, 9:00 am to 3:30 pm Minneapolis Convention Center Exhibit Hall B–C on Level One 1301 2nd Ave South, Minneapolis, MN WATERS HOSPITALITY SUITE June 10 – 12, 8:00 pm to 11:00 pm Hilton Minneapolis Grand Ballroom D, Third Level 1001 Marquette Avenue South, Minneapolis, MN WATERS POSTER PRESENTATIONS June 10 – 13, 10:30 am to 2:30 pm Minneapolis Convention Center Poster/Exhibit Hall B-C on Level One 1301 2nd Ave South, Minneapolis, MN WATERS ORAL PRESENTATIONS June 10 – 13 Room locations and times vary Minneapolis Convention Center 1301 2nd Ave South, Minneapolis, MN WATERS BREAKFAST SEMINARS June 10 – 12, 7:00 am to 8:00 am Hilton Minneapolis, Grand Ballroom D and Minneapolis Convention Center, Room 200I, Level 2 Pre-registration is required. Space is limited. Speak with your Waters Sales representative today to reserve your seat. [ EXPERIENCE ASMS WITH WATERS ] Learn about the latest innovations and developments in Mass Spectrometry from Waters experts throughout your time at ASMS. Discover the new dimension of superior performance. Let’s explore the possibilities together

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Page 1: Waters Corporation at ASMS2013 · ASMS2013 Waters Corporation at MinneapoLis, Minnesota JUne 8 –13, 2013 [ COLLABORATE. InnOvATE. SUCCEED. ] Waters e xhibit b ooth #132 June 9,

Purposeful innovations are alwaysthe result of collaborative vision.

ASMS2013Waters Corporation at

MinneapoLis, MinnesotaJUne 8 –13, 2013

[ COLLABORATE. InnOvATE. SUCCEED. ]

Waters exhibit booth #132

June 9, 7:30 pm to 9:30 pm

June 10 – 12, 9:00 am to 5:00 pm

June 13, 9:00 am to 3:30 pm

Minneapolis Convention Center

exhibit Hall B–C on Level one

1301 2nd ave south, Minneapolis, Mn

Waters hospitalit y suite

June 10 – 12, 8:00 pm to 11:00 pm

Hilton Minneapolis Grand Ballroom D,

third Level 1001 Marquette avenue south,

Minneapolis, Mn

Waters poster presentations

June 10 – 13, 10:30 am to 2:30 pm

Minneapolis Convention Center

poster/exhibit Hall B-C on Level one

1301 2nd ave south, Minneapolis, Mn

Waters oral presentations

June 10 – 13

room locations and times vary

Minneapolis Convention Center

1301 2nd ave south, Minneapolis, Mn

Waters breakfast seminars

June 10 – 12, 7:00 am to 8:00 am

Hilton Minneapolis, Grand Ballroom D

and Minneapolis Convention Center,

room 200i, Level 2

pre-registration is required. space is limited.

speak with your Waters sales representative

today to reserve your seat.

[ experience asms With Waters ]

Learn about the latest innovations and developments in Mass spectrometry from Waters experts throughout your time at asMs. Discover the new dimension of superior performance.

Let’s explore the possibilities together

Page 2: Waters Corporation at ASMS2013 · ASMS2013 Waters Corporation at MinneapoLis, Minnesota JUne 8 –13, 2013 [ COLLABORATE. InnOvATE. SUCCEED. ] Waters e xhibit b ooth #132 June 9,

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orals: locations and times vary 9:30 am, Monday, Room L100 oral: MoB am - instrumentation: time-of-Flight Mass spectrometry: in Memory of Bob Cotter

Sub-Second Ce-Esi-MS Using Microfluidic Devices and a Novel Method for Acquiring High Speed Tof-MS Data

J. scott Mellors1; nicholas Batz1; Martin Green2; J. Michael ramsey1 1University of North Carolina, Chapel Hill, NC; 2Waters Corporation, Manchester, UK

posters: located in exhibit/poster halls b & c

Museum History Display, all week

From Radio Tube Cathodes to Cells in Mitosis: The Evolution of Secondary Ion Mass Spectrometry (SIMS) Instrumentation and Applications

p. Jane Gale1; Bryan L. Bentz2 1Gale-Bentz Consulting, Southborough, MA; 2Waters Corporation, Milford, MA

MP25 - 496 - protein therapeutics: Quantitative analysis

Quantitative Analysis of Blood Coagulation Factor VIII Therapeutics in Plasma using UPLC/MS

Hiroya Miura1; taiji Kawase2; Kenji Hirose2 1Japanese blood products organization, Tokyo, Japan; 2Nihon Waters K.K., Tokyo, Japan

MP26 -532 - Biomarker Quantitation: proteins and peptides

Ultrasensitive Quantification Assay for Oxytocin in Human Plasma using a LC/MS Microfluidic Platform

Catalin Doneanu; paul rainville Waters Corporation, Milford, MA

MP27-558 - Biomarker Discovery: Cancer

Bladder Cancer Proteome: A Multiplexing Approach using Online 2D Rp-Rp Chromatography Coupled with Data Independent Ion Mobility

Lee a Gethings1; Zhuowei Wang2; Bo Wen3; Ju Zhang3; Quanhui Wang3; Liang Lin3; Chris Hughes1; Johannes p.C. Vissers1; James Langridge1; siqi Liu3 1Waters Corporation, Manchester, UK; 2Waters Corporation(China), Beijing, China; 3BGI, Beijing, China

MP32- 659 - plant”omics”

Application of Sub-2µm Particle CO2-based Chromatography Coupled to Mass Spectrometry for Chemical Profiling of Various Chamomiles

Bharathi avula1; Yan-Hong Wang1; Michael D Jones2; Larry Meeker2; Kate Yu2; troy J. smillie1; ikhlas a. Khan1, 3 1University of Mississippi, NCNPR, University, MS; 2Waters Corporation, Milford, MA; 3Universty of Mississippi, School of Pharmacy, University, MS

MP36 - 736 - polymers

Advantages of Mass Spectrometric Detection for Polymers Separated by UltraPerformance Convergence Chromatography

oliver Burt1; Baiba Cabovska2; Michael o’Leary2; peter Hancock1 1Waters Corporation, Manchester, UK; 2Waters Corporation, Milford, MA

MP36 -741 - polymers

Evaluating the Use of Ion Mobility-Mass Spectrometry for Polymer End Group Characterization Using Polydimethyl Siloxane as a Model

andrew J. Hoteling1; eleanor riches2 1Bausch + Lomb, Rochester, NY; 2Waters Corporation, Manchester, UK

MP36 - 749 - polymers

Characterization Of Trace Organic Impurities in Purified Terephthalic Acid (Pta) by Using UPLC Q-Tof Ms For Process Optimization

Yuhong Zhang1; Chuan Wang1; Zhenlei peng1; Yidan Guo1; Kejun Qian2; Xiaomei Huang2; peter Lee3 1SINOPEC SRIPT, Shanghai, China; 2Waters Technologies (Shanghai) Limited, Shanghai, China; 3Waters Corporation, Milford, MA

MP36 - 723 - polymers

Using Ion Mobility for ‘Shape-Selective’ Characterization of Polymers

Kirsten Craven1; Julien De Winter2; pascal Gerbaux2 1Waters Corporation, Manchester, UK; 2University of Mons, Mons, Belgium

MP34 - 696 - natural products

Quality-by-Design UHPLC Method Development with High Resolution MSE for Biomarker Identification of Phyllanthus Species

amadeu iglesias1; ricardo sprenger2; Fernando de paula1; tiago Campos1; Michael Murgu1; Quezia Cass2 1Waters Corporation, Barueri, Brazil; 2Universidade Federal de São Carlos - UFSCar, São Carlos, SP, Brazil

MP31 - 639 - environmental analysis: General i

Selective and Sensitive Detection and Quantification of Stockholm Convention Pops, Including Dioxins, using Atmospheric Pressure Gas Chromatography MS/MS

Kendon Graham1, 2; Jody Dunstan1, 2; Michael McCullagh1, 2; ingrid ericson Jogsten3; Jessika Hagberg3; Bert van Bavel3 1Waters Corporation, Milford, MA; 2Waters Corporation, Manchester, UK; 3MTM Research Centre, Orebro, Sweden

MP06 - 096 - LC-Ms: Chromatography

High Resolution LC-MS Peptide Separations with Formic Acid Mobile Phases using Charge Surface Modified C18 Columns

Matthew Lauber; stephan Koza; Kenneth Fountain

Waters Corporation, Milford, MA

MP06 - 116 - LC-Ms: Chromatography

Considerations in Combining Mass Spectral Data with Orthogonal Detector Information in LC/MS

thomas e. Wheat; aparna Chavali; patricia McConville

Waters Corporation, Milford, MA

MP06 - 124 - LC-Ms: Chromatography

Considerations in Developing a Prototype Microfluidic Trapping Column to Improve Mass and Volume Capacity in an Integrated LC/MS System

Jay s. Johnson; James Murphy; angela Doneanu; Bob Jencks; robert Collamati

Waters Corporation, Milford, MA

MP16 - 319 - instrumentation: new Developments in Mass analyzers

Electrostatic Gimbal for Correction of Errors in Time-Of-Flight Mass Spectrometers

John B Hoyes; andrew Whatley; David Langridge; anthony Gilbert

Waters Corporation, Manchester, UK

MP24 - 489 - new advances in Quantitative proteomics

Travelling Wave Ion Mobility Assisted Duty Cycle Enhancements for Targeted and Non-Targeted Proteomics Experiments

Christopher J Hughes ; Johannes pC Vissers; James Langridge

Waters Corporation, Manchester, UK

MP25 - 519 - protein therapeutics: Quantitative analysis

Quantification of Biotherapeutics in DMPK Studies using Accurate Mass MS/MS

Joanne Mather1; robert s. plumb2; Gordon Fujimoto1; Jonathan r. Kheller3; Matthew e. szapacs3; Christopher evans3 1Waters Corporation, Milford, MA; 2Imperial College, London, UK; 3GSK, King of Prussia, PA

MP25 - 521 - protein therapeutics: Quantitative analysis

Improved Identification and Quantitation of Host Cell Proteins in Protein Therapeutics using 2D-LC and Ion Mobility

Martha stapels; Catalin Doneanu; Keith Fadgen

Waters Corporation, Milford, MA

MOndAy, June 10

Page 3: Waters Corporation at ASMS2013 · ASMS2013 Waters Corporation at MinneapoLis, Minnesota JUne 8 –13, 2013 [ COLLABORATE. InnOvATE. SUCCEED. ] Waters e xhibit b ooth #132 June 9,

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orals: locations and times vary

Time: 10:10 am, Tuesday, Room 101

oral: toF am - Metabolomics/Lipidomics: new Ms technologies and applications

The Use Of Ion-Mobility Mass Spectrometry for Separation and Structural Elucidation of Lipids in Human Plasma. Application In Lipidomics Studies

Carola W.n. Damen1, 2; Giorgis isaac3; Jonathan p. Williams4; Johannes p.C. Vissers4; James i. Langridge4; thomas Hankemeier1, 2; rob J. Vreeken1, 2 1Netherlands Metabolomics Centre, Leiden University, Leiden, The Netherlands; 2Analytical Biosciences, LACDR, Leiden University, Leiden, The Netherlands; 3Waters Corporation, Milford, MA, USA; 4Waters Corporation., Manchester, UK

Time: 9:30 am, Tuesday, Room 101

oral: toF am - Metabolomics/Lipidomics: new Ms technologies and applications

Multi-Omics Profiling of Methionine-Restricted MCF7 Cells in 24 Hours Using a Prototype UPLC-Compatible Microfluidic Device

J. Will thompson1; Jay Johnson2; Giuseppe astarita2; Xiaohu tang1; Giuseppe paglia3; Jim Murphy2; steven Cohen2; Mark Bennett4; Jen-tsan Chi1; James Langdridge2; Geoff Gerhardt2; M. arthur Moseley1 1Duke University School of Medicine, Durham, NC; 2Waters Corporation, Milford, MA; 3Center for Systems Biology, University of Iceland, Reykjavik, Iceland; 4Nonlinear Dynamics, Durham, NC

Time: 8:30 am, Tuesday, Ballroom B

oral: toC am - Functional Foods, phytochemicals, and supplements

Analysis of an Adulterated Herbal Medicinal Product using UPLC-Qtof-MS

Mark powell1; Margaret Maziarz2; Michael D. Jones2; Warren potts2; Kate Yu2 1Quay Pharmaceuticals, Flintshire, UK; 2Waters Corporation, Milford, MA

Time: 3:30 pm, Tuesday, Ballroom B

oral: toC pm - Characterization of product Variants in Biosimilars

Assessing ‘Scrambled’ Disulfide Linkages: A Comprehensive Workflow for Routine Characterization of Biotherapeutics using High-Resolution LCMS and Electron Transfer Dissociation

asish Chakraborty; stephane Houel; Henry shion; scott Berger; Weibin Chen

Waters Corporation, Milford, MA

posters: located in exhibit/poster halls b & c

TP01 - 001 - ion activation/Dissociation

Investigation Into UV Photon Induced Fragmentation in a RF Confined Ion Guide Using A Vacuum UV Ionisation Lamp.

Martin Green; Keith richardson; Jeff Brown; paul Murray

Waters Corporation, Manchester, UK

TP01 - 002 - ion activation/DissociationUV Photodissociation within an Axially Illuminated Stacked Ring Ion Guide of an Ion Mobility Enabled Q-ToF

Jeff Brown1; Mike Morris1; Kevin Giles1; richard Chapman1; paul Murray1; emmy Hoyes1; Christopher Jones1; Jakub Ujma2; Bruno Bellina3; isabelle Compagnon3; perdita Barran2 1Waters Corporation, Manchester, UK; 2The University of Edinburgh, Edinburgh, UK; 3CNRS et Université Lyon, Lyon, France

TP02 - 027 - ion/Molecule, ion/ion, ion/electron interactions

Electrochemical-Assistance for Electron Transfer Dissociation Ion Mobility MS of Peptides and Proteins

Jonathan p. Williams; Christopher Hughes; Jeffery Brown

Waters Corporation, Manchester, UK

TP04 - 065 - instrumentation: new Developments in ionization and sampling

A Closer Look at The Sensitivity Enhancement Observed with Capillary and Nanoflow UPLC for Both Small and Large Molecules.

James Murphy; Jay Johnson; paul rainville

Waters Corporation, Milford, MA

TP04 - 086 - instrumentation: new Developments in ionization and sampling

Construction of an Interventional Mass Spectrometer for Intrasurgical Tissue Identification.

Cristina Guallar-Hoyas1; Laura Muirhead1; Lajos Gödörházy2; Dániel szalay2; tamás Krancsi2; steven pringle3; Mike Morris3; Zoltán takáts1 1Imperial Collegue, London, UK; 2Medimass, Budapest, Hungary; 3Waters Corporation, Manchester, UK

TP05 - 099 - instrumentation: new Concepts

Multiplexed Analysis of Steroid Hormones in Human Serum using Novel Microflow Tile Technology and LC-MS/MS

Carolyn Broccardo1; Kevin schauer1; Wendy Kohrt2; robert schwartz2; James Murphy3; Jessica prenni1 1Colorado State University, Ft Collins, CO; 2University of Colorado Anschutz Medical Campus, Aurora, CO; 3Waters Corporation, Milford, MA

TP08 - 139 - peptides: Quantitative analysis i

High Resolution Pseudo Mrm Peptide Assays on a Qtof Instrument

Dominic Helm1; Benjamin ruprecht1; simone Lemeer1; Christopher J Hughes2; Johannes pC Vissers2; James i Langridge2; Bernhard Kuster1 1Technische Universität München, Freising, Germany; 2Waters Corporation, Manchester, UK

TP10 - 190 - protein Covalent Labeling

A New Label Free Approach for the Determination of Reaction Rates in Oxidative Footprinting Experiments

eduardo pilau1; amadeu iglesias2; Fabio Gozzo3 1University of Maringá, Maringá, Brazil; 2Waters Technology, São Paulo, Brasil; 3University of Campinas, Campinas, Brazil

TP15 - 232 - protein therapeutics: structural Characterization

Characterization And Comparison Of O-Glycosylation Between the Innovator and a Biosimilar of Etanercept

stephane Houel1; Ying Qing Yu1; Jonathan p. Williams2; Weibin Chen1 1Waters Corporation, Milford, MA; 2Waters Corporation, Manchester, UK

TP18 - 262 - Biomarker Discovery: proteins

Application Of Multi-Omic And Functional Network Analysis For Paediatric Patients Diagnosed with Idiopathic Nephrotic Syndrome

Lee a Gethings1; Johannes p.C. Vissers1; John shockcor2; stephen McDonald2; sandra Kraljevic pavelic3; Mirela sedic3; Maja Lemac4; Danica Batinic4; James Langridge1; olga Vasieva5; Keith Compson1 1Waters Corporation, Manchester, UK; 2Waters Corporation, Milford, MA; 3University of Rijeka, Rijeka, Croatia; 4University of Zagreb, Zagreb, Croatia; 5University of Liverpool, Liverpool, UK

TP20 - 301 - new technologies in Biomarker Discovery

Rapid Analysis of Endogenous Steroids using Convergence Chromatography Coupled with Mass Spectrometric Detection

Christopher J. Hudalla1; stuart Chadwick2; Fiona Liddicoat2; andrew peck1; Kenneth J. Fountain1 1Waters Corporation, Milford, MA; 2Waters Corporation, Manchester, UK

TP20 - 304 - new technologies in Biomarker Discovery

Calcyclin Levels Determined by High-Throughput Srm In Serum Samples Of Pre-Eclampsia Patients

Coskun Güzel2; Johannes pC Vissers1; Lennard Dekker2; Gerda G Zeeman3; eric ap steegers3; theo M Luider2 1Waters Corporation, Manchester, UK; 2ErasmusMC, Department of Neurology, Rotterdam, The Netherlands; 3ErasmusMC, Department of Gynaecology, Rotterdam, The Netherlands

TueSdAy, June 11

Page 4: Waters Corporation at ASMS2013 · ASMS2013 Waters Corporation at MinneapoLis, Minnesota JUne 8 –13, 2013 [ COLLABORATE. InnOvATE. SUCCEED. ] Waters e xhibit b ooth #132 June 9,

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TP23 - 361 - Metabolomics: General

Collision-Cross Sections of Common Cellular Metabolites to Support Metabolomics Applications

Giuseppe paglia1; Giuseppe astarita2, 4; J. Will thompson3; Jonathan p. Williams2, 4; James Langridge2,

4; Bernhard o. palsson1, 5 1Center for Systems Biology, University of Iceland, Reykjavik, Iceland; 2Waters Corporation, Milford, MA; 3Duke Proteomics Core Facility, Durham, NC; 4Waters Corporation, Manchester, UK; 5Systems Biology Research Group, UCSD, San Diego, CA

TP24 - 384 - Metabolomics: Untargeted Metabolite profiling applications

UPLC-MS Metabolic Profiling Reveals Involvement of Novel Biological Pathways in the Progression of Atherosclerosis

panagiotis Vorkas1; Joseph shalhoub2; Giorgis isaac3; elizabeth Want1; Jeremy nicholson1; alun Davies2; elaine Holmes1 1Biomolecular Medicine, Imperial College, London, UK; 2Section of Vascular Surgery, Imperial College, London, UK; 3Waters Corporation, Milford, MA

TP25 - 421 - Drug Metabolism: Quantitative analysis

Analysis of Pharmaceutical Small Molecules using  a Prototype Microfluidics Tandem Quadrupole LCMS System

Yun W. alelyunas1; Mark D. Wrona1; Catalin Doneanu1; stephen McDonald1; paul D. rainville1; philip tiller2 1Waters Corporation, Milford, MA; 2RMI laboratories, North Wales, PA

TP25 - 451 - Drug Metabolism: Quantitative analysis

Diastereomeric Separation of Chiral Metabolites Utilizing SFC-MS/MS; A Powerful Tool to Investigate Stereoselective Metabolism?

Chester L Bowen1; Hermes Licea-perez1; tom Dephillipo2; Denise Heyburn2; paul rainville2; robert plumb2; Christopher evans1 1GlaxoSmithKline, King Of Prussia, PA; 2Waters Corporation, Milford, MA

TP27 - 492 - Lipids: Quantitative analysis

Rapid Profiling of Oxylipins for Drug Discovery and Development, Nutritional and Clinical Research

roy Martin1; Katrin strassburg2, 3; thomas Hankemeier3; Giorgis isaac1; James Langridge1; Claude Mallet1; rob Vreeken2, 3; Giuseppe astarita1 1Waters Corporation, Milford, MA; 2Netherlands Metabolomics Centre, Leiden, The Netherlands; 3Analytical BioSciences, LACDR, Leiden, The Netherlands

TP28 - 519 - informatics: Quantification/Validation

A Qualitative and Quantitative Ion Mobility Enabled Data Independent SILAC Workflow

andrew JK Williamson1; steven Ciavarini2; scott J Geromanos2; andrew tudor3; Barry Dyson3; Lee Gethings3; Kelly McMahon3; robert tonge3; James i Langridge3; anthony D Whetton1; Johannes pC Vissers3 1School of Cancer and Imaging Sciences, Manchester, UK; 2Waters Corporation, Milford, MA; 3Waters Corporation UK, Manchester, UK

TP31 - 579 - environmental analysis: pharmaceuticals and pesticides

Screening Environmental Samples for a Diverse Range of Compound Classes/Structures with Accurate Mass LC-MS and an Integrated Scientific Information System

Gareth Cleland; Lauren Mullin; Claude Mallet; Jennifer Burgess

Waters Corporation, Milford, MA

TP33 - 620 - ion Mobility applications

Separation of Isomeric Cationized Diterpene Glycosides from Stevia Rebaudiana Bertoni Leaves by Traveling Wave Ion Mobility Mass Spectrometry (Twim-Ms).

alessandra tata1; Giovana anceski Bataglion1; Gustavo Henrique Martins Ferreira souza2; Marcos nogueira eberlin1 1University of Campinas UNICAMP, Campinas (SP), Brazil; 2MS Applications and Develop Lab, Waters Corporation, São Paulo, Brazil

TP33 - 626 - ion Mobility applications

Determination and Characterization of PFOS in Environmental Samples Using Travelling Wave Ion Mobility Mass Spectrometry

Michael McCullagh1; Kendon Graham1; Dominic roberts1; Kieran J neeson1; Jeff Goshawk1; Leonard Dillon1; Mike Hodgkinson1; ingrid ericson2; Bert van Bavel2 1Waters Corporation, Manchester, UK; 2MTM Research Centre, Örebro University, Örebro, Sweden

TP33 - 627 - ion Mobility applications

A Novel Approach to the Reduction of False Positive and Negative Identifications in Screening of Pesticide Residues in Food Analysis

séverine Goscinny1; Michael McCullagh2; Kieran neeson2; Jeff Goshawk2; David eatough2; sara stead2; ramesh rao2; Dominic roberts2 1Scientific Institute of Public Health, Brussels, BELGIUM; 2Waters Corporation, Manchester, UK

TP35 - 695 - Carbohydrates i

Confident Identification of Isomeric N-Glycan Structures by Combined Ion Mobility Mass Spectrometry and Hydrophilic Interaction Liquid Chromatography

Yoshiki Yamaguchi1; Kenji Hirose2; Wataru nishima1; suyong re1; Yuji sugita1

1RIKEN, Wako-Shi, JAPAN; 2Nihon Waters K.K., Osaka, JAPAN

TP36 - 719 - Glycoproteins i

Rapid N-Linked Glycan Glycopeptide Analysis Of The Biotherapeutic Erythropoietin (Epo) Using Hilic UPLC/Flr And Mass Spectrometry

Mark Hilliard1; pauline rudd1; Jonathan Bones 1; Ying Qing Yu2 1NIBRT, Dublin, Ireland; 2Waters Corporation, Milford, MA

TP37 - 750 - Food safety

Using Ion Mobility Mass Spectrometry to Identify Multiple Protonation Sites and Different Fragmentation Patterns Within the Fluoroquinolone Class of Antibiotics

Michael McCullagh1; sara stead1; David eatough1; Kieran neeson1; Jeff Goshawk1; Wouter de Keizer2; aldert Bergwerff2 1Waters Corporation, Manchester, UK; 2RnAssays BV, Utrecht, The Netherlands

TP37 - 750 - Food Safety

Using Ion Mobility Mass Spectrometry to Identify Multiple Protonation Sites and Different Fragmentation Patterns Within the Fluoroquinolone Class of Antibiotics

Michael McCullagh1; sara stead1; David eatough1; Kieran neeson1; Jeff Goshawk1; Wouter de Keizer2; aldert Bergwerff2 1Waters Corporation, Manchester, UK; 2RnAssays BV, Utrecht, The Netherlands

www.facebook.com/Waters

www.linkedin.com/company/waters

www.twitter.com/WatersCorp

www.youtube.com/WatersCorporation

Page 5: Waters Corporation at ASMS2013 · ASMS2013 Waters Corporation at MinneapoLis, Minnesota JUne 8 –13, 2013 [ COLLABORATE. InnOvATE. SUCCEED. ] Waters e xhibit b ooth #132 June 9,

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orals: locations and times vary

Time: 3:10 pm, Wednesday, Ballroom A

oral: WoD pm - Biomarkers of Drug response, efficacy and toxicity: novel Ms approaches

Evaluation of a Novel Microfluidic Device for Robust and Ultrasensitive Quantitative Analysis of Biomarkers and Bio-Therapeutics By LC-MS/MS

Jose Castro-perez1; Haihong Zhou1; Vinit shah1; Kevin Bateman1; David Mclaren1; anita Lee1; stephen previs1; Kitshiri Herath1; James Murphy2; paul rainville2; alan Millar2; angela Doneanu2; Michele Cleary1; thomas roddy1 1Merck, Kenilworth, NJ; 2Waters Corporation, Milford, USA

posters: located in exhibit/poster halls b & c

WP05 - 052 - energy: Hydrocarbons and petrochemical

Comparisons and Characterization of Different Asphaltenes Using Novel Ion Mobility-Mass Spectrometry Comparison Software.

eleanor riches1; Jeremie ponthus2 1Waters Corporation, Manchester, UK; 2IFP Energies Nouvelles, Lyon, France

WP05 - 067 - energy: Hydrocarbons and petrochemical

Petroleum Biomarkers Analyzed by Atmospheric Pressure Gas Chromatography Tandem Mass Spectrometry (APGC/MS/MS)

Douglas stevens1; Quan shi2; Chang samuel Hsu3, 4 1Waters Corporation, Milford, MA; 2China University of Petroleum, Beijing, China; 3Florida State University, Tallahassee, FL; 4Petro Bio Oil Consulting, Tallahassee, FL

WP10 - 167 - imaging Ms: software

Targeted Ion Imaging MS: Evaluation Of New Algorithms to Reduce Acquisition and Processing Time

paul Murray; Keith richardson; emmy Hoyes; Chris Jones; richard Chapman; Jeff Brown

Waters Corporation, Manchester, UK

WP10 - 168 - imaging Ms: software

Investigation of Different Hierarchal Clustering Approaches for Protein Identification Directly from Tissue Section in a Maldi Imaging Experiment.

Mark towers1; Laura M. Cole2; Malcolm r. Clench2; emmanuelle Claude1 1Waters Corporation, Manchester, UK; 2Biomedical Research Centre, Sheffield Hallam University, Sheffield, UK

WP12 - 208 - imaging Ms: small Molecules

Spatial Correlation Combined with Hierarchal Clustering Analysis For Reducing Complex Multi-Dimensional Maldi Imaging Dataset

Hernando olivos1, 2; Kieran neeson1, 2; emmanuelle Claude1, 2; Mark towers1, 2 1Waters Corporation, Manchester, UK; 2Waters Corporation, Beverly, US

WP13 - 232 - informatics: small Molecule identification and Characterization

Integrating Datasets from Drug Metabolism and Bioanalytical Studies and Fixing the Missing Link for Quan/Qual

Mark D. Wrona; Craig Dorschel; Yun W. alelyunas; Kevin Cook; stephen McDonald; paul D. rainville

Waters Corporation, Milford, MA

WP15 - 254 - Drug Metabolism: Qualitative analysis

Evaluation of Xevo G2-S Q-Tof And Unifi Software for the Identification and Relative Quantitation of Metabolites

richard Clayton1; richard Lock2; Lucy Fernandes2 1Covance, Harrogate, UK; 2Waters Corporation, Manchester, UK

WP15 - 264 - Drug Metabolism: Qualitative analysis

Utility of Data-Independent LC/MSE with Ion Mobility to Increase Coverage of Nefazodone Metabolites from In-Vivo Matrices

Joseph t. Marini1; andrew G. Baker2; Jie Ding1; Donald L. McKenzie1 1Covance, Madison, WI; 2Waters Corporation, Pleasanton, CA

WP15 - 280 - Drug Metabolism: Qualitative analysis

A Comparison Of LC-MS and a Prototype Microfluidics-MS Device in the Metabolite Identification of In-Vitro and In-Vivo Samples.

philip tiller1; Mark D. Wrona2; Yun W. alelyunas2; Catalin Doneanu2; paul D. rainville2 1RMI laboratories, North Wales, PA; 2Waters Corporation, Milford, MA

WP16 - 286 - Drug and Metabolite analysis: novel approaches for Dried Biological samples

Application of Micro Fluidic LC/MS/MS for the Quantification Rosuvastatin from Dried Blood Spots: a Clinical Study Example

robert plumb2; nicola Gray1; ian Wilson2; paul rainville1 1Waters Corporation, Milford, MA; 2Imperial College, London, UK

WP18 - 313 - Metabolomics: Clinical applications

Application of Metabolomics to Characterize Differences Between Plasma and Nipple Aspirate Fluid, a Potential Source of Novel Breast Cancer Biomarkers.

Jessica Miller1; patricia thompson1; andrew Baker2, 3; steven Lai2, 3; H-H sherry Chow1 1University of Arizona Cancer Center, Tucson, AZ; 2Waters Corporation, Pleasanton, CA; 3Waters Corporation, Milford, MA

WP18 - 318 - Metabolomics: Clinical applications

Evaluation of Home Sampling DBS And Micro Fluidic LC/MS for Monitoring the Effects of Rosuvastatin on Cholesterol and Triglyceride Levels

robert plumb1; ian Wilson1; nicola Gray1; paul rainville2 1Imperial College, London, UK; 2Waters Corporation, Milford, MA

WP19 - 344 - Food “omics” Ms Characterization of Food and nutritional supplements

Characterization And Quantification of Peanut Allergens using Ion Mobility Data Independent Label Free Strategies

philip Johnson2; Lee a Gethings1; Justin Marsh2; James Langridge1; Clare Mills2 1Waters Corporation, Manchester, UK; 2University of Manchester, Manchester, UK

WP21 - 374 - H/D exchange, software and Hardware

Assessing Lab-to-lab Reproducibility of Deuterium Measurement in Hydrogen Deuterium Exchange Mass Spectrometry Analysis

Barbara sullivan

Waters Corporation, Beverly, MA

WP21 - 376 - H/D exchange, software and Hardware

An Improved Hdx Platform Workflow for Enhanced Separation, Digestion, and Data Analysis

Joomi ahn1; Michael eggertson1; Keith Fadgen1; Han Joo Lee1; John engen2 1Waters Corporation, Milford, MA; 2Northeastern University, Boston, MA

WP21 - 378 - H/D exchange, software and Hardware

Overcoming Peak Capacity Limitations Imposed by Hydrogen Exchange Quench Conditions

Bradley B. stocks1; thomas e. Wales1; Martha stapels2; Keith Fadgen2; Michael eggertson2; Geoff Gerhardt2; John r. engen1 1Northeastern University, Boston, MA; 2Waters Corporation, Milford, MA

WP24 - 436 - antibody and antibody Drug Conjugates

Rapid Analysis of Intact Antibody-Drug Conjugates(Adcs) By UPLC Q-Tof MS

Wei Jia1; ChuanFei Yu2; Kai Gao2 1Waters Corporation, ShangHai, Beijing, China; 2China National institutes for Food and Drug Control, Beijing, China

WP25 - 447 - analysis of Biosimilars

Applying Multiple Orthogonal Analytical Methodologies for Comprehensive Biosimilar Comparability Assessment

Henry shion; Vera ivleva; Ying Qing Yu; tom Wheat; Weibin Chen

Waters Corporation, Milford, MA

WP25 - 448 - analysis of Biosimilars

N-linked Glycan Profile Comparison Between the Innovator and a Biosimilar Etanercept

Ying-Qing Yu

Waters Corporation, Milford, MA

WP26 - 475 - Biomarkers: Discovery

Biomarker Screening for Drug-Induced Nephrotoxicity in Rats Using UPLC-MSe

Liuxi Chen1; Brad Williams2; Jonathan phillips1; scott Geromanos2; Vladimir papov1 1Boehringer Ingelheim Pharmaceuticals, Inc, Ridgefield, CT; 2Waters Corporation, Milford, MA

WedneSdAy, June 12

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WP31 - 590 - informatics: peptide identification / Characterization i

Using Orthogonal Techniques For Protein-Peptide Separation to Generate Comprehensive HDMSE Mass Spectral Libraries From an e. Coli Model System

Justin D. topp3; Michael nold5; ezra s. abrams2; Charles L. Farnsworth1; scott Geromanos5; Manor askenazi4; Jeffrey C. silva1 1Cell Signaling Technology, Danvers, MA; 2Sage Science Inc., Beverly, MA; 3Gordon College, Wenham, MA; 4The Ionomix Initiative, Arlington, MA; 5Waters Corporation, Milford, MA

WP33 - 634 - peptides: Quantitative analysis ii

The Analysis Of Human Parathyroid Hormone 1-34 (Teriparatide) by LC-MS/MS: Challenges and Lessons Learned

erin e. Chambers1; Mary Lame1; Jon Bardsley2; eileen Collins2; sally Hannam2; elizabeth thomas2; Kenneth J. Fountain1 1Waters Corporation, Milford, MA; 2ICON PLC, Manchester, UK

WP33 - 641 - peptides: Quantitative analysis ii

Absolute Quantitation of Yeast Kinases by Means of LC-MS/MS Using Qconcat And Srm Technologies

philip J Brownridge1; Victoria Harman1; simon Cubbon2; Johannes pC Vissers2; Craig Lawless3; simon J Hubbard3; robert J Beynon1 1Protein Function Group, University of Liverpool, Liverpool, UK; 2Waters Corporation, Manchester, UK; 3Faculty of Life Sciences, University of Manchester, Manchester, UK

WP35 - 672 - advances in separation techniques for proteomic applications

A Comparison of Proteomic Data Sets Obtained from Varied Experimental Approaches

susan slade1; James Langridge3; nisha patel2; Joanne B. Connolly3; James scrivens1 1University of Warwick, Coventry, UK; 2Department of Chemistry, University of Oxford, Oxford, UK; 3Waters Corporation, Manchester, UK

WP36 - 699 - interactions and pathway analysis

Investigation of Hepatocytes Transfected with Cytochrome P450: Data Independent LC-MS Approach to Identify and Quantify on a Multi-Omic Scale

suzanne Geenen1; Lee a Gethings2; Cristian Cojocariu2; Janet Hammond2; Giorgis isaac3; Lucy Fernandes2; robert tonge2; Johannes p.C. Vissers2; James Langridge2; ian Wilson1; Mark McDowall2 1AstraZeneca, Macclesfield, UK; 2Waters Corporation, Manchester, UK; 3Waters Corporation, Milford, MA

WP37 - 707 - ambient ionization: applications ii

Rapid Screening of Plasticisers in Gaskets for Glass Food Jar Lids using Atmospheric Pressure Solids Analysis Probe-High Resolution Mass Spectrometry

Malcolm Driffield1; Dennis speck1; Mita parmar1; Jennifer Leak1; Liam Lister1; emma Bradley1; Dominic roberts2; sara stead2 1Food and Environmental Research Agency (Fera), York, UK; 2Waters Corporation, Manchester, UK

orals: locations and times vary

Time: 8:50 am, Thursday, Room L100

thoB am - informatics: Metabolomics

A Novel Approach for Processing LC-Ion Mobility-MS Metabolomics Data

Giorgis isaac2; Martin palmer3; Mark Bennett1; James Langridge3; John p. shockcor2; andy Borthwick1 1Nonlinear Dynamics, Newcastle, upon Tyne , UK; 2Waters Corporation, Milford, MA; 3Waters Corporation, Manchester, UK

Time: 10:10 am, Thursday, Exhibit Hall A

thoa am - ambient ionization: instrumentation and applications

Rapid Evaporative Ionization Mass Spectrometry – Mechanism And Applications

Dániel szalay1; Lajos Gödörházy1; tamás Karancsi1; andor rozsnyai1; ottmar Golf2; Karl-Christian schäfer2; steven pringle3; Mike Morris3; Zoltán takáts2 1Medimass Ltd., Budapest, Hungary; 2Imperial College London, London , UK; 3Waters Corporation, Manchester, UK

Time: 4:10 pm, Thursday, Room L100

thoB pm - proteomics: infection Diseases

A Systems Biology Approach for The Discovery of Drug and/or Vaccine Targets In Plasmodium Falciparum using Irradiated Long-Lived Merozoites

Krishan Kumar1; prakash srinivasan2; Michael J. nold3; Dan sturdevant4; J. Kathleen Moch5; Karine reiter1; steve F. porcella4; scott Geromanos3; Julian C. rayner6; J. David Haynes5; David L. narum1 1LMIV,NIAID,NIH, Rockville, MD; 2LMVR,NIAID,NIH, Rockville, MD; 3Waters Corporation, Milford, MA; 4RTB, NIAID, NIH, Hamilton, MT; 5Walter Reed Army Institute of Research, Silver Spring, MD; 6Wellcome Trust Sanger Institute, Hinxton, Cambridge CB10 1SA, UK

posters: located in exhibit/poster halls b & c

ThP05 - 054 - imaging Ms: instrumentation

Rapid Imaging of Unprocessed Chicken Bone Marrow by LAESI-MS with T-Wave Ion Mobility Separation using a Synapt G2-S

emmanuelle Claude1; Michel W.F nielen2, 3; Brent r. reschke4; Hilary Major1 1Waters Corporation, Manchester, UK; 2RIKILT, Wageningen, The Netherlands; 3Wageningen University, Lab of Organic Chemistry, Wageningen, The Netherlands; 4Protea Biosciences, Morgantown, US

ThP06 - 073 - instrumentation: General

3D Simulation of Quadrupole Mass Filter Performance with Realistic Ion Input Conditions

David Langridge

Waters Corporation, Manchester, UK

ThP06 - 087 - instrumentation: General

Probing the High Mass Transmission Characteristics of a Conjoined Ion Guide Enabled Quadrupole / Ion Mobility /Time-of Flight Instrument

Kevin Giles; Jason Wildgoose; Jonathan Williams; Martin De Cecco

Waters Corporation, Manchester, UK

ThP06 - 089 - instrumentation: General

Novel Acquisition Strategies For Tof And Ims-Tof Mass Spectrometers

Keith richardson1; Jason Wildgoose1; Martin Green1; stephen platt1; Martin palmer1; Mark Wrona2; asish Chakraborty2; arkadiusz Grzyb3 1Waters Corporation, Manchester, UK; 2Waters Corporation, Milford, MA; 3Inquiry Software, Bialogard, Poland

ThP07 - 118 - LC-Ms instrumentation

An Integrated LC/MS Platform for Microscale Applications

angela Doneanu; Jim Murphy; Jay Johnson; steve Cohen; Giusseppe astarita

Waters Corporation, Milford, MA

ThP08 - 131 - LC-Ms sample preparation (proteins & peptides)

Critical Evaluation of The Effects of Various Sample Clean Up Approaches for Micro Fluidic LC/MS In Bioanalysis

paul rainville; Jim Murphy; Catalin Doneanu

Waters Corporation, Milford, MA

ThP11 - 207 - GCMs: instrumentation & applications

Characteristics of Charge Exchange Chemical Ionization (CI) in an Atmospheric Pressure Gas Chromatography (APGC) Source and Applied Uses

steven Lai1; rhys Jones2; David Douce2; Jody Dunstan 2; Douglas stevens3 1Waters Corporation, Beverly, MA; 2Waters Corporation, Manchester, UK; 3Waters Corporation, Milford, MA

THuRSdAy, June 13