designing and building the qda · 2015. 6. 11. · ©2015 waters corporation 2 acquity qda compact...

©2015 Waters Corporation 1

Designing and Building the QDa

What it Takes to Bring a New Mass Spectrometer to Your Lab Bench

Daniel Kenny Director, MS Development


Acquity QDa

Compact mass detector – Affordable – Intuitive to existing UV users – Complimentary to existing detectors


The Why, How and What

Why? – Bring power of mass detection to the

chromatographers bench

How?

– Remove the barriers to adoption – Affordability – Footprint – Complexity – But without compromising performance

What? – The focus of this presentation!


Project ‘Kestrel’

Concept

Brain-storming

Research & Prototyping

Engineering Models

Alpha Phase

Beta Phase

Pre-production

Phase

Launch and Ship

Oct ‘13

Aug ‘13

Feb ‘13

July ‘12

Mar ‘12

Sep ‘10

Mar ‘10

Mar ‘09

Four and a half years from

Concept to Launch


The Size of the Problem

HxWxD = 23.3”x13.9”x29” Volume = 9392 cubic inch Weight = 80 Kg Power = 900W

HxWxD = 8”x13.9”x25.5” Volume = 2836 cubic inch Weight = 26 Kg Power = 400W

HxWxD = 34%x100%x88% Volume = 30% Weight = 33% Power = 44%


Revolution not Evolution

[ Completely New Design] [ Minimal Re-Use]

218

10 0

50

100

150

200

250

Total Parts Inherited Parts


QDa Schematic

ESI Source Dual Ion Guides Quadrupole Detector

Vacuum & Turbo Pump

Affordability Footprint Ease of Use Performance


QDa Schematic

Vacuum & Turbo Pump

Sample Cone


Roughing Pumps

12”

20” 12”


15 % Pumping

Speed 8”

14.5” 5.5”

Enhanced Performance

2.5 % Pumping

Speed 5.5”

9” 6”

Standard Performance

Acquity SQD2

Same Volume as QDa and also 65% Heavier!


Sample Cone Size Comparison

Xevo TQ-S

Xevo TQD

Xevo TQ

Kestrel (High Performance)

Kestrel (Standard Performance)

Human Hair


Sample Cone Robustness

Affordability Ease of Use Affordability Footprint Performance


Sample Cone Robustness

Chromatographic peak area for 1500 injections of Simazine spiked into white wine.

Red lines: 15%, Green lines: 5% from mean.


QDa Schematic

Vacuum & Turbo Pump

Sample Cone Differential Aperture 1 Differential Aperture 2


Turbo Pumps

5.5”

9” 3.5”

18 % Volume

21% Weight

20 % Pumping Speed


61% of our weight budget

6”

16”

6.5”

Acquity SQD2 Acquity QDa


QDa Schematic

Dual Ion Guides


Dual Ion Guide Configuration

Same approach taken with high end instruments (e.g. Xevo TQ-S) – ‘SnowBoy’ – reduced dimension StepWave ion guide

o Increase sensitivity and robustness – Segmented quadrupole 2nd ion guide – PCB Construction

Ease of Use Performance Affordability Footprint Affordability


StepWave Technology

Elec

tric

Fie

ld

Diffuse Ion

Cloud

‘Snow Man’ Ion Guide

Ease of Use Performance Affordability Footprint


Ion Guide Comparison

Performance Affordability Footprint Ease of Use

Quadrupole Ion Guide

Hexapole Ion Guide Differential Apertures


QDa Schematic

ESI Source


Large number of degrees of freedom: – Capillary protrusion – Probe protrusion – Probe angle – Desolvation gas flow – Cone gas flow – Desolvation gas temperature – Ion block temperature – ESI voltage – Cone Voltage

Universal Source


QDa Source

Footprint Ease of Use Affordability Performance

Pre-optimised configuration: – Fixed

– Capillary protrusion – Probe protrusion – Probe angle – Desolvation gas flow – Cone gas flow

– Defaulted (but overrideable) – Desolvation gas temp. – Ion block temperature – ESI voltage – Cone Voltage


Adjustment free single piece electrospray probe

Ease of Use Affordability Footprint Performance

PEEK Tubing (Multiple Lengths)

Metal ESI Capillary

Connection to LC

‘Click’ Fitting

Probe installed into source enclosure

Nebuliser Tip



Source Pressure

Measurement

Calibration gas

Fixing hole seal

Fixing hole seal

Cone gas flow

Solvent Drain

Vacuum seal


QDa Schematic

Quadrupole


Balancing Performance and Size

Fundamental Physics

Shrink quadrupole radius, r0

– Increases mass range, Mmax

– Reduce mass range to reduce the voltage, Vmax

– Smaller Vmax allows smaller RF generator

Shortening rods – Reduced resolution

Increasing RF frequency, f – Increase resolution – Reduce mass range


Final QDa Quadrupole Design

66% radius and 66% length of standard quad – Reduced Molybdenum material cost – Nearly enough Molybdenum in one

standard rod to make four Kestrel rods!

– Maximum voltage reduced 3x



QDa Schematic

Overall Instrument


Sensitivity – 1pg Reserpine

QDa (SP)

QDa (EP)


Speed – Separation of 11 compound mix

+ve and -ve ion mass spectra across the whole chromatographic separation. Extracted mass chromatograms.

Presenter

Presentation Notes

For qualitative analysis it is necessary to acquire data in full scan mode to determine the mass of components eluting from the column. Furthermore, it is desirable to be able to rapidly swap the polarity of the mass spectrometer during an analysis to obtain the broadest compound coverage. To demonstrate how the QDa is able to obtain scanning data across the whole mass range in both polarities (at a polarity switching speed of 25 msec) whilst maintaining sufficient data points across the chromatographic peak, a chromatographic separation of a mix of 11 compounds (Acrylamide, 4-Acetaminophen, Carbofuran, SDM, Val-Tyr-Val, Verapamil, Leu Enk, Reserpine, Erythromycin, Tilmicosin and Cyclosporin A) was performed using a sample concentration of 500pg/µL except for Verapamil (125 pg/µL) and SDM (250pg/µL).


The Future?

Reaction Monitoring

Dissolution Studies

Non-Laboratory Operation

Direct Analysis

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A Team Effort

designing and building the qda · 2015. 6. 11. · ©2015 waters corporation 2 acquity qda compact...

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