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©2007 Waters Corporation 1
IntroducingThe Xevo TQ MS
©2007 Waters Corporation 2
A tandem quadrupole mass spectrometer
For high performance LC/MS/MS applications
But its not a conventional tandem quadrupole mass spectrometer!
Outstanding quantitative LC/MS/MS performance
&
Enhanced qualitative LC/MS/MS capabilities
Xevo TQ MSXevo TQ MS
©2007 Waters Corporation 3
Common Challenges Facing Common Challenges Facing LaboratoriesLaboratories
Common Common challengeschallenges
Inefficient Inefficient workwork--flowflow
Complex Complex technologiestechnologies
Challenging/ Challenging/ complex complex samples samples ProductivityProductivity
& return on & return on investmentinvestment
More More experimental experimental
choices choices neededneeded
©2007 Waters Corporation 4
Complex Complex technologiestechnologies
More More experimental experimental
choices choices neededneeded
Challenging/ Challenging/ complex complex samples samples ProductivityProductivity
& return on & return on investmentinvestment
Designed Designed for for
simplified simplified user accessuser access
Innovative Innovative technology technology superior superior
quantification & quantification & enhanced enhanced qualitative qualitative capabilitiescapabilities
Latest Latest innovative high innovative high performance performance ion source ion source technologytechnology
Rapid data Rapid data acquisition/ acquisition/
UPLC UPLC compatible by compatible by
designdesign
New tools New tools streamline streamline
method method creation & creation &
data quality data quality monitoringmonitoring
Inefficient Inefficient workwork--flowflow
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High sensitivity sensitivity
High High ProductivityProductivity
More More experimental experimental
choiceschoices
Why Xevo TQ MS?Why Xevo TQ MS?
WhyWhyXevo TQ MS?Xevo TQ MS?
©2007 Waters Corporation 5
The Accelerated Evolution Of MS Technology
©2007 Waters Corporation 6
More More experimental experimental
choiceschoices
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High sensitivity sensitivity
High High ProductivityProductivity
WhyWhyXevo TQ MS?Xevo TQ MS?
©2007 Waters Corporation 7
Simple AccessSimple Access
Insert text
Non-expert users
1920 1940 1960 1980 2000 2020
©2007 Waters Corporation 8
Set up AnalysisCreate methods
Simple AccessSimple Access
©2007 Waters Corporation 9
On-board fluidics
Advanced LC/MS/MS—More Accessible—More Reliable—More Productive
Simple AccessSimple Access
©2007 Waters Corporation 10
XX
Simple AccessSimple Access
LC/MS System check: Run 1
LC/MS System check: Run 6
%
0
100
Time
%
0
100
Time
Peak area = 4351.6
Peak area = 4435.2
LC/MS System Check
©2007 Waters Corporation 11
WhyWhyXevo TQ MS?Xevo TQ MS?
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High ProductivityProductivity
More More experimental experimental
choiceschoices
Higher Higher sensitivity sensitivity
©2007 Waters Corporation 12
A central data base for quantitative LC/MS methods
Based on compound name
A tool to aid MS method creation — Automatically creates data
acquisition methods
— Automatically creates data processing methods
Efficient WorkEfficient Work--FlowFlow
©2007 Waters Corporation 13
Select compounds
from database
Ready to Acquire & Process
Create LC/MS
methods
Use Predefined Analysis
Use Predefined Compounds
Efficient WorkEfficient Work--FlowFlow
©2007 Waters Corporation 14
Pro-active quantification data monitoring— Blanks
— Quality Control Standards
— Internal standards
Action on failure:— Re-inject
— Terminate sample run
Efficient WorkEfficient Work--FlowFlow
Prevents precious samples from being injected if the LC/MS system is not performing appropriately.
©2007 Waters Corporation 15
0
1000
2000
3000
4000
5000
6000
Checks
Blank response OK
RT shifted
Ion ratios changed
Correct RT and ion ratios
Analytes above RL/MRL
Recoveries OK
Calibrations OK
RL standards satisfy S/N
Within RT tolerance
Ion ratios OK
Efficient WorkEfficient Work--FlowFlow
©2007 Waters Corporation 16
A tool to plot TargetLynx data
Intra and inter-batch data
Efficient WorkEfficient Work--FlowFlow
Monitor long term data trends/system performance
©2007 Waters Corporation 17
Setup instrumentation
Create LC/MS/MS methods
Monitor data pro-actively
Process, qualify & report results
Plot trends in results
Efficient WorkEfficient Work--FlowFlow
IntelliStart
Quanpedia
QCMonitor
TargetLynx
TrendPlot
©2007 Waters Corporation 18
WhyWhyXevo TQ MS?Xevo TQ MS?
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High ProductivityProductivity
More More experimental experimental
choiceschoices
High High sensitivitysensitivity
©2007 Waters Corporation 19
High SensitivityHigh Sensitivity
ZsprayTM
— Robust performance in the face of complex biological samples
— Zspray, a proven geometry (many years experience & 1000’s in use daily).
Designed to be compatible with all your HPLC and UPLC needs
Innovative, Ergonomic Engineering— Performance, usability & serviceability
— Tool free maintenance
— Novel tool free source exchange
— Integrated gases
— Plug and play probesNew High Performance
AP Ion Source
©2007 Waters Corporation 20
High SensitivityHigh Sensitivity
Optimized gas flow dynamics
High temperature desolvation (650C)
Thermally regulated ionisation chamber
Highly efficient ionisation — High LC flow rates
— High aqueous solvents
Designed for Performance,
Usability & Serviceability
©2007 Waters Corporation 21
Evaluation of UPLC/MS/MS Performance
Xevo TQ MS vs. Quattro Premier XE— Mixture of pesticides — Back to back comparisons made— Same UPLC, mobile phases & standards— Enhancement in ESI response measured
Effect of UPLC flow rate— UPLC/MS/MS repeated at different flow rates
o 0.45mL/mino 0.6mL/mino 0.8mL/min
High SensitivityHigh Sensitivity
UPLC/MRM analysis of a pesticide mixture (ESI+)
Enhanced Peak Area Response at different UPLC flow rates
0
1
2
3
4
5
6
7
8
9
Fenpy
roxim
at
Azoxy
strobin
Zoxamide
Pyripro
xifen
Fenha
xamid
Imaz
alil
Disulfo
ton
Imidac
loprid
Oxydem
eton MDiuro
n
Methioca
rb
Cyrpodini
l
Atrazin
e
Aldicarb
Thiabend
azole
Carben
dazim
Metham
idophos
QPXE @ 0.45ml/min Xevo @ 0.45ml/min Xevo @ 0.6ml/min Xevo @ 0.8ml/min
BenchmarkQuattro
Premier XE Response
Xevo TQ MS
Responses
0.45mL/min
0.6mL/min
0.8mL/min
Enhanced Signal (Peak Area)
Xevo TQ MS
0.4mL/min - Up to X6 (Ave X3) > QPXE
0.6mL/min - Up to X7 (Ave X4) > QPXE
0.8mL/min - Up to X8 (Ave X5) > QPXE
©2007 Waters Corporation 22
UPLC/MS/MS(ESI -)
Enhanced Peak Area Response at different UPLC flow rates
0
0.5
1
1.5
2
2.5
3
3.5
4
Estriol Bisphenol A Estrone 17b Estradiol 17a EthinylEstradiol
17a Estradiol
QPXE Xevo TQ MS @ 0.45ml/min Xevo TQ MS @ 0.6ml/min Xevo TQ MS @ 0.8ml/min
High SensitivityHigh Sensitivity
Enhanced Signal (Peak Area)
Xevo TQ MS
0.4mL/min - Up to X3 (Ave X2) > QPXE
0.6mL/min - Up to X2.5 (Ave X2) > QPXE
0.8mL/min - Up to X3.5 (Ave X2.5) > QPXE
©2007 Waters Corporation 23
High SensitivityHigh Sensitivity
Quattro Premier XE
Xevo TQ MS
TQD
ENHANCED SIGNAL?
X2 > QPXEX13 > TQD
X4 > QPXEX26 > TQD
X3> QPXEX31 >TQDX2 > QPXE
X15 > TQD
UPLC/MS/MSMRM, ESI+
ACQUITY BEH C18 50X 2.1mm, 1.7µ
0.8mL/min
CAFFEINE
VERAPAMIL
SULFADIMETHOXINEHYDROXYPROGESTERONE
Enhanced SIGNAL (Peak Area)
Xevo TQ MS
Up to X4 (Ave X3) > QPXE
Up to X30 (Ave X20) > TQD
©2007 Waters Corporation 24
High SensitivityHigh Sensitivity
Quattro Premier XE
Xevo TQ MS
TQD
ENHANCED SIGNAL/NOISE?
X7 > QPXEX10 > TQD
X4 > QPXEX16 > TQD
X3> QPXEX7 >TQD= QPXE
X3 > TQD
UPLC/MS/MSMRM, ESI+
ACQUITY BEH C18 50X 2.1mm, 1.7µ
0.8mL/minEnhanced SIGNAL/NOISE
Xevo TQ MS
Up to X7 (Ave X3) > QPXE
Up to X16 (Ave X9) > TQD
©2007 Waters Corporation 25
WhyWhyXevo TQ MS?Xevo TQ MS?
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High ProductivityProductivity
More More experimental experimental
choiceschoices
High High sensitivity sensitivity
©2007 Waters Corporation 26
High ProductivityHigh Productivity
HPLC-MS/MS
%
Time2.0 2.5 3.01.50.5 1.00
UPLC-MS/MS
©2007 Waters Corporation 27
High ProductivityHigh Productivity
The
ACQUITY UPLC - Xevo TQ MS
LC/MS/MS System
Fully compatible with ACQUITY UPLC by design
High speed data acquisition— T-WaveTM enabled collision cell*
— Rapid polarity switching (20ms)
A winning combination that provides:— The lowest limits of detection
— The very best chromatographic resolution
— Unmatched speed of analysis
— Highest productivity
*The traveling wave described here is similar to that described by Kirchner in US Patent 5,206,506 (1993).
©2007 Waters Corporation 28
Tested as UPLC/MS systems — Multi component test mix
— UPLC column
— Gradient conditions
— At 0.8mL/min
UPLC/MRM system sensitivity specifications— To ensure complete
confidence in total system performance
High ProductivityHigh Productivity
The
ACQUITY UPLC - Xevo TQ MS
LC/MS/MS System
©2007 Waters Corporation 29
WhyWhyXevo TQ MS?Xevo TQ MS?
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High ProductivityProductivity
More More experimental experimental
choiceschoices
High High sensitivity sensitivity
©2007 Waters Corporation 30
More Experimental ChoicesMore Experimental Choices
A New Collision Cell— A unique patented design
— Novel use of proven T-Wave technology*
Enhances spectral data— MS
— Product ion
Xevo TQMS is different— Unlike conventional tandem
quadrupole MS instruments
ScanWaveTM Enabled
Collision Cell
*The traveling wave described here is similar to that described by Kirchner in US Patent 5,206,506 (1993).
©2007 Waters Corporation 31
Standard tandem quadrupole MS — Very sensitive in MRM mode— Significantly less sensitive when acquiring in spectral mode
ScanWave operation— Ions are accumulated in the collision cell — Ions released according to their mass to charge ratio (m/z).— Release of these ions is synchronised with the scanning of MS2— Greatly improves duty cycle— Enhancing sensitivity in the scanning acquisition mode.
Xevo TQ MS — operates in either standard or ScanWave enhanced modes
More Experimental ChoicesMore Experimental Choices
©2007 Waters Corporation 32
Standard Data
ScanWave Enhanced Data
More Experimental ChoicesMore Experimental Choices
Product ion spectrum of Glu-fibrinopeptide(Scan speed = 5,000 amu/second)
Conventional
product ion spectrum
ScanWaveTM enhanced
product ion spectrum
©2007 Waters Corporation 33
Scan Wave compatible with UPLC requirements — Rapid full scan acquisition rates— Rapid polarity switching
Operates at standard gas cell pressures— Operates in ScanWave and T-wave modes
Performance — No loss of sensitivity— No loss of speed— No loss of functionality
Providing a more versatile LC/MS System
More Experimental ChoicesMore Experimental Choices
ScanWaveTM Enabled
Collision Cell
©2007 Waters Corporation 34
Xevo TQ MS provides more experimental choices— Switches rapidly between MS and MS/MS acquisition modes
— Collision gas on in all acquisition modes
Unknown Screening (survey scanning)— Automatically generates ScanWave enhanced product ion
spectra for any components found in a complex sample
— Various triggers can be usedo MS full scanning
o Parent ion scanning
o Neutral loss scanning
More Experimental ChoicesMore Experimental Choices
©2007 Waters Corporation 35
Acquire qualitative (spectral) data & quantification(MRM) data in a single injection.
MS spectral data at the same time as MRM data.— Valuable aid to method development
— See all of the back ground interferences while developing your targeted MRM method.
More Experimental ChoicesMore Experimental Choices
Use MRM data to trigger the acquisition of product ion spectra— spectral data provides useful extra
information about a suspect MRM quantification result
©2007 Waters Corporation 36
Complex Complex technologiestechnologies
More More experimental experimental
choices choices neededneeded
Challenging/ Challenging/ complex complex samples samples ProductivityProductivity
& return on & return on investmentinvestment
Inefficient Inefficient workwork--flowflow
Simple Simple accessaccess
Efficient Efficient workwork--flowflow
High High ProductivityProductivity
More More experimental experimental
choiceschoices
Why Xevo TQ MS?Why Xevo TQ MS?
WhyWhyXevo TQ MS?Xevo TQ MS?
High High sensitivitysensitivity
©2007 Waters Corporation 37
Xevo TQ MSXevo TQ MS
©2007 Waters Corporation 38
Thank You For Your Attention
Any Questions?