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©2015 Waters Corporation 1 The Evolution of Ion Mobility MS

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Page 1: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 1

The Evolution of Ion Mobility MS

Page 2: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 2

2001 Linear Field IMS

Page 3: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 3

Gate

MobilityRegion

StorageRegion Quadrupole

Mass Filter

ElectrosprayTip

Pusher

Detector

Reflectron

LensesCollision

Cell

SecondTransferRegion

Electric Field

FirstTransfer Region

Stacked RingIon Guide

Ions

Page 4: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 4

2001 Linear Field IMS

2003 First T-Wave IMS

2004 Prototype SYNAPT Q-IMS-Tof

Page 5: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 5

Page 6: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 6

2001 Linear Field IMS

2003 First T-Wave IMS

2004 Prototype SYNAPT Q-IMS-Tof

2006 Synapt HDMS TriWave, DriftScope

Page 7: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 7

Page 8: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 8

The Challenge of Ion Mobility

Page 9: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 9

2006 Synapt HDMS TriWave, DriftScope

2007 MALDI Synapt

2001 Linear Field IMS

2003 First T-Wave IMS

2004 Prototype SYNAPT Q-IMS-Tof

2009 Synapt G2 HDMS 2nd Gen TriWave & QuanTOF

Page 10: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 10

Page 11: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 11

2006 Synapt HDMS TriWave, DriftScope

2007 MALDI Synapt

2009 Synapt G2 HDMS 2nd Gen TriWave & QuanTOF

2010 MALDI Synapt G2 HDMS HDI Software, ETD

2001 Linear Field IMS

2003 First T-Wave IMS

2004 Prototype SYNAPT Q-IMS-Tof

2011 Synapt G2S HDMS StepWave

Page 12: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 12

Page 13: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 13

2006 Synapt HDMS TriWave, DriftScope

2007 MALDI Synapt

2009 Synapt G2 HDMS 2nd Gen TriWave & QuanTOF

2010 MALDI Synapt G2 HDMS HDI Software, ETD

2011 Synapt G2S HDMS StepWave

2001 Linear Field IMS

2003 First T-Wave IMS

2004 Prototype SYNAPT Q-IMS-Tof

2013 Synapt G2Si HDMS Enhancing Workflows (implementing CCS) Dedicated IMS Apps Software (UNIFITM), MS Compare, IntellistartTM

Page 14: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 14

CCS

Structure Separation

Sensitivity Specificity

Page 15: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 15

Opportunity

Measure CCS of every ion in every

analysis Incorporate CCS into routine workflows

Page 16: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 16

2006 Synapt HDMS TriWave, DriftScope

2007 MALDI Synapt

2009 Synapt G2 HDMS 2nd Gen TriWave & QuanTOF

2010 MALDI Synapt G2 HDMS HDI Software, ETD

2011 Synapt G2S HDMS StepWave

2001 Linear Field IMS

2003 First T-Wave IMS

2004 Prototype SYNAPT Q-IMS-Tof

2013 Synapt G2Si HDMS Enhancing Workflows (implementing CCS) Dedicated IMS Apps Software (UNIFITM), MS Compare, IntellistartTM

2015 Accessible Ion Mobility

Page 17: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 17

Beyond Resolution

Page 18: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 18

Page 19: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 19

Dual Channel 7.2GHz (up-sampled) 10-bit ADC

QuanTof2 Detector

x 1

x 0.03

ADC High Gain Channel

ADC Low Gain Channel

Peak Processing

Peak processing

ADC Test signal

Apply calibration

Combine From MS

ADC Amplifier

Page 20: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 20

Benefits of QuanTof2

Page 21: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 21

UN

IFI

Streamlined Instrument Controls

Seamless Workflows

Integrated Ion Mobility Tools Sophisticated Reporting

UNIFI: Taking Data to Knowledge

UNIFI 1.8

Page 22: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 22

Routine ion mobility

• Just press START

• Simply Acquire

• Get to the Answers

Seamlessly from sample to answers

Page 23: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 23

Clarity cleaner mass spectra

Confidence valuable CCS information for

every ion

System Productivity with UNIFI analytical

workflows

Benefits of Routine Ion Mobility

Page 24: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 24

518.2235 m/z

441.2758 m/z

289.1923 m/z

617.3076 m/z 236.6 Å2 Verapamil- CH2 + C6H8O6

Benefits of Routine Ion Mobility Ion Mobility Off

Page 25: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 25

518.2235 m/z

441.2758 m/z

289.1923 m/z

617.3076 m/z 236.6 Å2 Verapamil - CH2 + C6H8O6

Clarity

Unlimited Product ion

HDMSE

Benefits of Routine Ion Mobility Ion Mobility On

Page 26: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 26

Vion measured CCS(N2) values

Reserpine - 609.28 m/z : 252 Å2 - 0.10 % RSD

LueEnk – 556.27 m/z : 230 Å2 - 0.15 % RSD

Terfenadine – 472.32 m/z : 230 Å2 - 0.12 % RSD

Verapamil – 455.29 m/z : 211 Å2 - 0.17 % RSD

Sulphadimethoxine – 311.08 m/z : 168 Å2 - 0.15 % RSD

Caffine – 195.08 m/z : 136 Å2 - 0.22 % RSD

Data from 400 injections over 33 hours

<2% time after time

Page 27: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 27

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Axis Title

Synapt WIV ISP/Vion IMS Q ToF Comparison April 2015

Pesticide

WIV ISP Study: SYNAPT/Vion Comparison for Pesticides

Dr Severine Goscinny, Scientific Institute of Public Health, Belgium Coming soon...

Confidence

Page 28: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 28

Confidence

Benefits of Routine Ion Mobility

Page 29: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 29

153 Coeluting Components Resolved with Vion Mobility

System Productivity

Page 30: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 30

Page 31: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 31

Vion IMS QTof presentations this week

Page 32: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 32

Experience the best of ASMS with Waters

Page 33: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 33

Presentation at ASMS highlighting Waters IMS enabled technology

Waters Presentations at ASMS

– All

o 17 Orals

o 102 Posters

– Including IMS enabled technology

o 8 Orals (47%)

o 27 Posters (26%)

Page 34: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 34

Ion-Mobility at ASMS

0

1000

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4000

2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014

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en

dan

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nu

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cts

Year

total abstracts

attendance

0

1000

2000

3000

4000

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6000

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2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014

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f ASM

S ab

stra

cts

Year

"IMS" or "mobility" in abstract

attendance

Page 35: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 35

Ion-Mobility at ASMS

0

1000

2000

3000

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2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014

Tota

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en

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mb

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S ab

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Year

"IMS" or "mobility" in abstract

attendance

Year Total AbstractsAbstracts containing

"IMS" or "mobility"

% containing "IMS"

or "mobility"

2000 1619 30 1.9

2007 2872 127 4.4

2014 3541 348 9.8

Introduction of first commercial IMS system (SYNAPT HDMS)

Page 36: The Evolution of Ion Mobility MS - waters.com · ©2015 Waters Corporation 6 2001 Linear Field IMS 2003 First T-Wave IMS 2004 Prototype SYNAPT Q-IMS-Tof 2006 SynaptHDMS TriWave, DriftScope

©2015 Waters Corporation 36

Presentation at ASMS highlighting Waters IMS enabled technology

Session Type Location Time Title Presenters Affiliations

Quantitative Analysis in Drug

Discovery for Small MoleculesOral Ballroom 220/221 4:10pm - 4:30pm Comparison of travelling wave IMS-QTof geometries and acquisition modes for quantitative analysis

M ark Wrona* (1) ; Yun Alelyunas(1) ; Jayne Kirk(2) ; M artin Palmer(2)

; Nick Tomczyk(2) ; Russell M ortishire-Smith(2)

(1) Waters Corporation, M ilford, M A; (2) Waters M S Technologies,

Wilmslow, United Kingdom

Advances in Software and Hardware

to Improve DMPK WorkflowsOral Ballroom 220/221 9:10am - 9:30am Fully integrated novel IMS-QTof informatics platform for rapid drug screening and elucidation

Russell M ortishire-Smith* (1) ; Jayne Kirk(1) ; Nick Tomczyk(1) ;

M artin Palmer(1) ; Richard Denny(1) ; A lan Prile(1) ; Simon

Cubbon(1) ; Yun Alelyunas(2) ; M ark Wrona(2)

(1) Waters M S Technologies, Wilmslow, United Kingdom; (2) Waters

Corporation, M ilford, M A

Energy, Petroleum, & Biofuels:

Advances in MS Design & InformaticsOral Ballroom 222/224 8:30am - 8:50am

Comparison of atmospheric solid analysis probe with other atmospheric pressure ionization sources by

ion mobility-mass spectrometry using PetroOrg software

M athilde Farenc* (1, 5) ; Yuri E. Corilo(2, 3) ; Priscila M . Lalli(3) ;

Eleanor Riches(4) ; Ryan P. Rodgers(2) ; Carlos Afonso(1) ; P ierre

Giusti(5

(1) University o f Rouen, M ont Saint A ignan, France; (2) National

High M agnetic Field Laboratory, Tallahassee, FL; (3) Future Fuels

Institute, Tallahassee, FL; (4) Waters Corporation, Wilmslow, UK; (5)

TOTAL Refining and Chemicals, Gonfreville l'Orcher, France

Energy, Petroleum, & Biofuels:

Advances in MS Design & InformaticsOral Ballroom 222/224 9:50am - 10:10am Algae Biomass Characterization by Traveling Wave Ion Mobility Mass Spectrometry

M aira Fasciotti* (1) ; Ingrid Chastinet Ribeiro(1) ; Paulo Roque

M artins Silva(1) ; Thays V. M onteiro(1) ; Gustavo H. M . F. Souza(2) ;

Julia Itaco lomy da Silva(1) ; Romeu J. Daroda(1) ; Valnei S. Cunha(1)

; Claudia M aria Luz Lapa Teixeira(3) ; Amarjit S. Sarpal(1)

(1) Inmetro, Duque De Caxias, Brazil; (2) Waters Coorporation, Rio

de Janeiro, Brazil; (3) National Institute of Technology, INT, Rio de

Janeiro, Brazil

Poster Poster Poster 239 - Natural ProductsUtilization of a Novel Geometry Travelling Wave IMS/Q-TOF Mass Spectrometer for Natural Products

Profiling

Anthony T. Iavarone(1) ; Ulla N. Andersen(1) ; Darren Hewitt(2) ;

Andrew Baker* (3)

(1) UC Berkeley, Berkeley, CA; (2) Waters, Wilmslow, UK; (3) Waters,

Inc., P leasanton, CA

Poster PosterPoster 133 - Ion Mobility:

Theory

Comparison of CCS(N2) measurements obtained from two different T-wave IMS systems with direct

measurements using a drift tube IMSKevin Giles; M artin Palmer; Keith Richardson; Nick Tomczyk* Waters M S Technologies, Wilmslow, United Kingdom

Poster Poster

Poster 651 - Energy:

Hydrocarbon and

Petrochemical

Supercritical Fluid Chromatography Coupled with Ion Mobility-Mass Spectrometry for Comprehensive

Profiling of Petroleum SamplesEleanor Riches* (1) ; Yunju Cho(2) ; Sunghwan Kim(2)

(1) Waters Corporation, Wilmslow, United Kingdom; (2) Chemistry

Department, Kyungpook National Universit, Daegu, South Korea

Poster PosterPoster 146 - Ion Mobility:

InstrumentalCharacterizing a T-Wave Enabled Multi-pass Cyclic Ion Mobility Separator

Kevin Giles* ; Jason L Wildgoose; Steven Pringle; David Langridge;

Peter Nixon; John Garside; Peter CarneyWaters Corporation, Wilmslow, United Kingdom

Poster Poster

Poster 205 - Top down Protein

Analysis: Relatively Pure

Sample

Improving Protein Sequence Coverage and Identification of Oxidation Sites via Top/Middle -Down

Fragmentation and Ion-mobility Time-of-flight Mass Spectrometry

Stephane Houel(1) ; Catalin Doneanu(1) ; Asish Chakraborty* (1) ;

Andrew Tudor(2) ; Nick Tomczyk(2) ; M artin Palmer(2) ; Weibin

Chen(1)

(1) Waters Corp, M ilford, M A; (2) Waters M S Technologies,

Wilmslow, United Kingdom

Poster PosterPoster 144 - Ion Mobility:

Instrumental

Ultra-definition multiplex acquisition (UDMSE) of whey protein supplements by traveling wave ion

mobility mass spectrometry (TWIM-MS)

Gustavo H. M . F. Souza* (1) ; M aÃ-ra Fasciotti(2) ; Bruno C.

Garrido(2) ; Daniela C. Lourenço(2) ; Andrea F. M acedo(3) ;

M ariana S. L. Ferreira(3) ; Luiz Claudio Cameron(3)

(1) Waters Corporation, Rio de Janeiro, Brazil; (2) INM ETRO, Duque

De Caxias, Brazil; (3) UNIRIO, Rio de Janeiro, Brazil

Poster PosterPoster 131 - Ion Mobility:

TheoryPredicting Theoretical Collision-cross Sections for Small Molecules

Bela Paizs* (1) ; Keith Richardson(2) ; Jeff Brown(2) ; M ike

M orris(2) ; Zo ltan Takats(3)

(1) Bangor University, Bangor, UK; (2) Waters Corporation,

Wilmslow, United Kingdom; (3) Imperial College London, London,

N/A

Instrumentation: Time-of-flight and QTOF Oral Hall 5 8:50am - 9:10am Novel operating modes of an ion mobility quadrupole time-of-flight hybrid instrument Jason L Wildgoose* ; Kevin Giles; Keith Richardson; Steven Pringle Waters Corporation, M anchester, United Kingdom

Poster Poster

Poster 123 - High Mass

Accuracy/High Performance MS:

Instrumentation

A novel method of m/z drift correction for oa-TOF mass spectrometers based on construction of libraries of 'matrix'

componentsM artin Green* ; Keith Richardson; M artin Palmer; Nick Tomczyk Waters Corporation, M anchester, UNITED KINGDOM

Poster PosterPoster 233 - Drug Metabolism:

Qualitative Analysis

Comprehensive metabolite detection by utilising both positive and negative ionization on an integrated microfluidic-

ion source with CCS measurements

Richard Gallagher* (1) ; Christine Pattison(1) ; Kathryn Pickup(1) ;

John Chipperfield(2) ; M ike M cCullagh(2) ; Jim M urphy(3) ; David

Douce(2)

(1) AstraZeneca, M acclesfield, UK; (2) Waters (M S Technologies),

Wilmslow, United Kingdom; (3) Waters, M ilford, USA

Ion Mobility: Structures Oral Room 123/124 8:50am - 9:10am Pushing the boundaries of small molecule analysis: using ion mobility MS and gas-phase infrared spectroscopy to study

protonation site isomers

Jasper Boschmans* (1) ; Stephan Warnke(2) ; Jongcheol Seo(2) ;

Jonathan P. Williams(3) ; Kevin Pagel(2, 4) ; Gert von Helden(2) ;

Filip Lemière(1) ; Frank Sobott(1)

(1) University o f Antwerp, Antwerp, Belgium; (2) Fritz-Haber-Institut

der M ax-Planck-Gesellschaft, Berlin, Germany; (3) Waters

Corporation, M anchester, UK; (4) Freie Universität Berlin, Berlin,

Germany

Poster Poster Poster 568 - Ion Mobility: StructuresInvestigation of Ion Mobility Mass Spectrometry Analysis of Electrochemically Generated Oxidation Products of Opiates

and Comparison with Theoretical CCS Values

Cris Lapthorn(1) ; Frank Pullen(1) ; Susana da Silva Torres(2) ; M ark

R. Taylor(2) ; Russell M ortishire-Smith(3) ; Jayne Kirk* (3) ; Andrew

Baker(4)

(1)  University o f Greenwich, Chatham M aritime, UK; (2) Pfizer,

Sandwich, UK; (3) Waters Corp, M anchester, UK; (4) Waters, Inc.,

P leasanton, CA

Poster Poster Poster 631 - Systems Biology: Other Studies of Heart Regeneration in Zebrafish: A Multi-Omics/System Biology ApproachLeanne C. Nye* (1) ; Lee Gethings(2) ; Cheng Shuk Han(3) ; Yun Wah

Lam(3) ; Fatemeh Babaei(3) ; Chi Chi Liu(3) ; A lfred W. H. Chan(3) ;

Robert P lumb(4) ; Ian D. Wilson(1)

(1) Imperial College, London, UK; (2) Waters Corporation, Wilmslow,

UK; (3) City University, Hong Kong, Hong Kong; (4) Waters, M ilford,

M A

Poster PosterPoster 267 - Lipids: ID and Structural

Analysis

Characterization and Collision Cross Section Determination of Obesity Related Lipids Within Mouse Models Using

Travelling Wave IMS-QTof Mass Spectrometry

Gertjan Kramer(1) ; Nicholas Dekker(1) ; Lee A Gethings* (2) ; John

P. Shockcor(2) ; James I. Langridge(2) ; Johannes P.C. Vissers(2) ;

Johannes M .F.G. Aerts(1)

(1) Academic M edical Centre, University o f Amsterdam,

Amsterdam, Netherlands; (2) Waters Corporation, M anchester,

United Kingdom

Poster PosterPoster 251 - Lipids: Quantitative

AnalysisSkyline Validation of Quantitative Measurements from High-Resolution LC-IMS-MS Lipidomics Profiling Experiments

J. Will Thompson* (1) ; Laura Dubois(1) ; Brian Pratt(2) ; M ichael J.

M accoss(3) ; Giuseppe Astarita(4) ; Brendan M aclean(2) ; Arthur

M oseley(5)

(1) Duke University School o f M edicine, Durham, NC; (2) University

o f Washington, Seattle, WA; (3) Univ of Washington, Seattle, WA; (4)

Waters Corporation, M ilford, M A; (5) Duke University School o f

M edicine, Durham, NC

Ion Mobility: Small Molecules,

Pharmaceuticals, and DMPKOral Ballroom 220/221 9:30am - 9:50am

Comprehensive Screening and Characterisation of Metabolites and Biomolecules by Collisional Cross Section using a

Novel Geometry Travelling-Wave IMS-QTof Mass Spectrometer

Richard Gallagher(1) ; Christine Pattison(1) ; Kathryn Pickup(1) ; Nick

Tomczyk(2) ; M artin Palmer(2) ; Jason Wildgoose(2) ; Darren

Hewitt(2) ; Daniel Weston* (2)

(1) Astrazeneca, M acclesfield, United Kingdom; (2) Waters,

Wilmslow, United Kingdom

Synthetic Polymers Oral Theater 2:30pm - 2:50pmCharacterization of atmospheric pressure polyolefin pyrolysis products by Fourier transform mass spectrometry and

ion mobility - mass spectrometryCarlos Afonso* (1) ; M athilde Farenc(1, 2) ; M atthias Witt(3) ; Kirsten

Craven(4) ; Caro line Barrère-M angote(2) ; P ierre Giusti(2)

(1) University o f Rouen, M ont Saint A ignan, France; (2) TOTAL

Refining and Chemicals, Gonfreville l'Orcher, France; (3) Bruker

Daltonik GmbH, Bremen, Germany; (4) Waters, M anchester, UK

Poster PosterPoster 123 - Environmental Analysis:

GeneralTravelling Wave Ion Mobility Enhanced Separation of Poly-Halogenated Dioxins and Furans in Controlled Burn Samples Kari Organtini* (1) ; Lauren M ullin(2, 3) ; Adam Ladak(3)

(1) The Pennsylvania State University, State College, PA; (2) M TM

Research Centre Ã-rebro University, Ã-rebro , Sweden; (3) Waters

Corporation, M ilford, M A

Poster Poster Poster 62 - PolymersIon Mobility-Mass Spectrometry: A Novel Approach to Screening for Extractable and Leachable Components from

Packaging MaterialBaiba Cabovska* (1) ; Eleanor Riches(2) ; Cristina Nerin(3) ;

M argarita Aznar(3) ; P ilar A lfaro(3)

(1) Waters Corporation, M ilford, M A; (2) Waters Corporation,

Wilmslow, United Kingdom; (3) CPS-University o f Zaragoza,

Zaragoza, Spain

Poster PosterPoster 646 - Ion Mobility: Small

Molecule and MetabolomicsDemonstration of Collisional Cross Section Value Conservation Across LC and GC Analyses

Lauren M ullin* (1, 2) ; Gareth Cleland(2) ; M ike M cCullagh(3) ; Ingrid

Ericson Jogsten(1)

(1) M TM Research Centre Ã-rebro University, Ã-rebro, Sweden; (2)

Waters Corporation, M ilford, M A; (3) Waters Corporation,

Wilmslow, UK

Poster PosterPoster 451 - Informatics: Protein ID

and QuantificationLarge Scale Quantitation of Stable Isotope Labelled Proteomes Using Retention and Drift Time Profiling

Andrew Collins(1) ; Antony M cCabe(1) ; Ian M orns(3) ; Johannes

PC Vissers* (2) ; Andrew R Jones(1)

(1) Institute of Integrative Bio logy, University o f Liverpool, UK; (2)

Waters Corporation, M anchester, UK; (3) Nonlinear Dynamics

Limited, Newcastle upon Tyne, UK

Poster PosterPoster 636 - Ion Mobility: Complex

Mixtures

A Novel Strategy to Screen and Profile Steviol Glycosides of Natural Sweeteners in Food Using Microfluidic UPLC Ion

MobilityRamesh P Rao* (1) ; M ichael M cCullagh(1) ; David Douce(1) ;

Séverine Goscinny(2)

(1) Waters Corporation, M anchester, United Kingdom; (2) Scientific

Institute of Public Health, Brussels, Belgium

Poster Poster

Poster 588 - Proteomics:

Quantitative - Chemical Labeling

Methods

TMT 10-plex Quantitation by Travelling Wave IMS-QTof Mass SpectrometryDominic Helm(2) ; Chris Hughes* (1) ; Jason L Wildgoose(1) ; Keith

Richardson(1) ; Nick Tomczyk(1) ; James I Langridge(1) ; Johannes

PC Vissers(1) ; Bernhard Kuster(2)

(1) Waters Corporation, M anchester, UK; (2) Technische

Universität M ünchen, Freising, GERM ANY

Poster PosterPoster 634 - Ion Mobility: Complex

Mixtures

Using the Routine Separation Dimension and Identification Criteria of Microfluidic UPLC Ion Mobility to Enhance

Specificity in Screening Complex SamplesM ichael M ccullagh(1) ; C.A.M Pereira(2) ; J.H Yariwake(2) ; David

Douce* (1)

(1) Waters (M S Technologies), Wilmslow, United Kingdom; (2)

Universidade de Sao Paulo, Sao Paulo, Brazil

Poster PosterPoster 649 - Ion Mobility: Small

Molecule and MetabolomicsThe analysis of Bile Acids: Enhancement of specificity using an Ion Mobility-TOFMS based approach

Jonathan P. Williams* (1) ; Jonas Abdel-Khalik(2) ; Yuqin Wang(2) ;

Sarah M . Stow(3) ; M ark Towers(1) ; Giuseppe Astarita(1) ; James

Langridge(1) ; William J. Griffiths(2)

(1) Waters, M anchester, United Kingdom; (2) College of M edicine,

Swansea, UK; (3) Vanderbilt University, Nashville, TN, USA,

Nashville, TN

Poster Poster Poster 208 - Toxicology A Novel Screening Approach for the Detection of Toxicologically Relevant Substances Nayan S. M istry; Jeff Goshawk; M ichelle Wood* Waters, Wilmslow, United Kingdom

Poster PosterPoster 631 - Ion Mobility: Complex

Mixtures

Microfluidic UPLC Ion Mobility: A New Approach to Authentication and Routine Screening of Ginsenoside Isomers in

Functional Food ProductsM ichael M ccullagh* ; John Chipperfield; Ramesh P Rao; David

DouceWaters, M anchester, United Kingdom

Poster PosterPoster 633 - Ion Mobility: Complex

Mixtures

Baby Elephants Can Surf: Using the Selectivity of Ion Mobility When Screening Multi-class Pesticides in Fruit and

VegetablesSeverine Goscinny* (1) ; M ichael M cCullagh(2)

(1) Scientific Institute of Public Health, Brussels, Belgium; (2)

Waters, M anchester, United Kingdom

Poster PosterPoster 642- Ion Mobility: Small

Molecule and MetabolomicsThe importance of charge isomers in quantitation; ion mobility mass spectrometry of fluoroquinolone antibiotics

Cris Lapthorn* (1) ; M ike M cCullagh(2) ; Sara Stead(2) ; M artin

Palmer(2) ; Kevin Giles(2) ; Keith Richardson(2) ; Jasper

Boschmans(3) ; Frank Sobott(3) ; Frank Pullen(1) ; Babur

Chowdhry(1) ; George Perkins(4)

(1) University o f Greenwich, Chatham M aritime, UK; (2) Waters Corp,

M anchester, UK; (3) University o f Antwerp, Antwerp, Belgium; (4) 149

Hickory Corner Road, M ilford, NJ

Poster PosterPoster 647 - Ion Mobility: Small

Molecule and MetabolomicsIon mobility data in metabolite identification: a Mass-MetaSite approach

Ismael Zamora(1) ; Kevin Bateman(3) ; Fabien Fontaine* (4) ;

Russell M ortishire(2) ; Ian M cIntosh(3)

(1) Lead M olecular Design, S.L., Sant Cugat Del Valles, SPAIN; (2)

Waters Corp, M ilford, M S; (3) M erck, West Point, PN; (4) M olecular

Discovery, London, UK

Poster PosterPoster 648 - Ion Mobility: Small

Molecule and Metabolomics

Multidimensional analytical approaches: combining ion mobility and spectrophotometric detection with current MS-

based metabolomics and lipidomics workflows

Giuseppe Paglia* (1) ; Tommaso Pacini(2) ; Steinn

Gudmundsson(2) ; A Eugenio Chiaravalle(1) ; Sigurdur

Brynjo lfsson(2) ; Bernard O Palsson(2) ; Giuseppe Astarita(3)

(1) IZS Puglia e Basilicata, Foggia, Italy; (2) Center For Systems

Bio logy, Reykjavik, Iceland; (3) Waters Corporation, M ilford, M A

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Session: Advances in Software and Hardware to Improve DMPK Workflows When: Monday 09.10 to 09.30 in Ballroom 220/221

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©2015 Waters Corporation 38

Session: Advances in Software and Hardware to Improve DMPK Workflows When: Monday 09.10 to 09.30 in Ballroom 220/221

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©2015 Waters Corporation 39

Session: Advances in Software and Hardware to Improve DMPK Workflows When: Monday 09.10 to 09.30 in Ballroom 220/221

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©2015 Waters Corporation 40

Session: Advances in Software and Hardware to Improve DMPK Workflows When: Monday 09.10 to 09.30 in Ballroom 220/221

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©2015 Waters Corporation 41

Session: Advances in Software and Hardware to Improve DMPK Workflows When: Monday 09.10 to 09.30 in Ballroom 220/221

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©2015 Waters Corporation 42

Session: Quantitative Analysis in Drug Discovery for Small Molecules When: Monday 16.10 to 16.30 in Ballroom 220/221

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©2015 Waters Corporation 43

Session: Quantitative Analysis in Drug Discovery for Small Molecules When: Monday 16.10 to 16.30 in Ballroom 220/221

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©2015 Waters Corporation 44

Session: Quantitative Analysis in Drug Discovery for Small Molecules When: Monday 16.10 to 16.30 in Ballroom 220/221

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©2015 Waters Corporation 45

Session: Quantitative Analysis in Drug Discovery for Small Molecules When: Monday 16.10 to 16.30 in Ballroom 220/221

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©2015 Waters Corporation 46

Session: Poster 239 – Natural Products When: Monday 10.30 to 13.00

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©2015 Waters Corporation 47

Session: Poster 239 – Natural Products When: Monday 10.30 to 13.00

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©2015 Waters Corporation 48

Session: Poster 239 – Natural Products When: Monday 10.30 to 13.00

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©2015 Waters Corporation 49

Session: Poster 239 – Natural Products When: Monday 10.30 to 13.00

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©2015 Waters Corporation 50

Session: Poster 239 – Natural Products When: Monday 10.30 to 13.00

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©2015 Waters Corporation 51

Session: Poster 133 – Ion Mobility: Theory When: Monday 10.30 to 13.00

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©2015 Waters Corporation 52

Session: Poster 133 – Ion Mobility: Theory When: Monday 10.30 to 13.00

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©2015 Waters Corporation 53

Session: Poster 133 – Ion Mobility: Theory When: Monday 10.30 to 13.00

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©2015 Waters Corporation 54

Session: Poster 133 – Ion Mobility: Theory When: Monday 10.30 to 13.00

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©2015 Waters Corporation 55

Session: Poster 510 - Protein Therapeutics: Structural Characterization When: Tuesday 10.30 to 13.00

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©2015 Waters Corporation 56

Session: Poster 510 - Protein Therapeutics: Structural Characterization When: Tuesday 10.30 to 13.00

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©2015 Waters Corporation 57

Session: Poster 510 - Protein Therapeutics: Structural Characterization When: Tuesday 10.30 to 13.00

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©2015 Waters Corporation 58

Session: Ion Mobility: Small Molecules, Pharmaceuticals and DMPK When: Monday 09.30 to 09.50 in Ballroom 220/221

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©2015 Waters Corporation 59

Session: Ion Mobility: Small Molecules, Pharmaceuticals and DMPK When: Monday 09.30 to 09.50 in Ballroom 220/221

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©2015 Waters Corporation 60

Session: Ion Mobility: Small Molecules, Pharmaceuticals and DMPK When: Monday 09.30 to 09.50 in Ballroom 220/221

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©2015 Waters Corporation 61

Session: Ion Mobility: Small Molecules, Pharmaceuticals and DMPK When: Monday 09.30 to 09.50 in Ballroom 220/221

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©2015 Waters Corporation 62

Session: Ion Mobility: Small Molecules, Pharmaceuticals and DMPK When: Monday 09.30 to 09.50 in Ballroom 220/221

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©2015 Waters Corporation 63

Session: Poster 62: Polymers When: Tuesday 12.00 to 14.30

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©2015 Waters Corporation 64

Session: Poster 62: Polymers When: Tuesday 12.00 to 14.30

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©2015 Waters Corporation 65

Session: Poster 62: Polymers When: Tuesday 12.00 to 14.30

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©2015 Waters Corporation 66

Session: Poster 62: Polymers When: Tuesday 12.00 to 14.30

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©2015 Waters Corporation 67

Session: Poster 62: Polymers When: Tuesday 12.00 to 14.30

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©2015 Waters Corporation 68

Session: Poster 208: Toxicology When: Tuesday 12.00 to 14.30

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©2015 Waters Corporation 69

Session: Poster 208: Toxicology When: Tuesday 12.00 to 14.30

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Session: Poster 208: Toxicology When: Tuesday 12.00 to 14.30

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Session: Poster 208: Toxicology When: Tuesday 12.00 to 14.30

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Guide to Waters at ASMS 2015