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Introducing theAgilent 7000A Triple Quadrupole GC/MS

Paul Zavitsanos, Joe Weitzel,

Monty Benefiel and Terry Sheehan

May 2008

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What’s a Triple Quad?

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GC/MS Triple Quad (QQQ)

DetectorQuad 1

Collision Gas (N2 )

Hexapole Collision Cell

Ion Source•Ionize Quad 2

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What is MRM MS/MS?Multiple Reaction Monitoring

Product 3

Product 2

EI: many ions from the source

Product 1

EI-MS/MS

Q1 SIM isolate precursor before CID

CID + Q3 filter

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Why MS/MS?Greater Selectivity Than SIM in complex

samples

PrecursorIon

Product 1Product 3

Product 2

EI-SIMselectivity proportional to

spectral resolutionno selectivity against ions

with same m/z

EI-MS/MSPrecursor selectivity same as SIM

High probability that at least one product ions will be a unique dissociation product of the precursor BUT not the interference

interference

analyte

interference

The precursor ion should NOT be used for ion ratios or quantitation since the interferences will

be the same as the SIM ion

unit mass resolution

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Why a GC/QQQ System?

• Allows for the selective quantitation of target compounds in high chemical background samples

• Better S/N in complex matrices than can be achieved by single quad approaches

• Newer regulations in some markets specify analytical power commensurate with GC/QQQ

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Why a Triple? A Picture is worth a thousand words.

GC/MS/MS QQQ MRM

GC/MS Single Quad SIM

EI 100fg HCB in “DIRTY” Matrix

S/N: 116:1 RMS

100 fg HCB

MS SIM

MS/MS MRM

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SIM vs MRM for HCB100 fg HCB in Clean Matrix 300 fg HCB in Diesel

Sing

le M

S: S

IM 2

83.8

MS/

MS:

283

.8:21

3.9

S/N=6:1 RMS

S/N=86:1 RMSS/N=37:1 RMS

S/N=26:1 RMS

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Technology

• Agilent took the Best technologies from their industry leading 597X Series GC/MSD:

• Heated monolithic gold plated quartz quadrupole• Proven reliable high performance source design• AUTOTUNE

• And the Agilent 6410A LC/QQQ:• Linear acceleration enhanced Collision Cell• Wide Mass-Bandwidth QQQ ion optics• Mass Hunter software

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Why Proprietary Heated Quartz “Gold”Quads?

• Heated monolithic gold plated hyperbolic quartz quadrupole is the “gold” standard in quadrupole instruments for GC/MS

• High 200C temperature quadrupole operation results in greater reliability with “dirty” samples

• Virtually eliminates the need to clean quads as a maintenance issue

• More stable tunes and methods over a longer period of time in real world sample environments

• High speed MRMs (500 MRMs/sec) possible with Agilent Quad electronics

• AUTOTUNE Friendly!!!

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Agilent 7000A Analyzer

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Analyzer Details

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P28E-5 Torr

P15-20E-5 Torr

Rough Pump

He or H2 (1-8 sccm)CH4 (0-2 sccm)

EdwardsSplit Flow Turbo

Collision Cell

N2 (1 sccm)He (1-5 sccm)

High Performance Differentially Pumped Manifold

Source Analyzer

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Analyzer Details

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Analyzer Doors Open

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Proven source performance

• Inert source design proven over thousands of systems in current use

• Stay-Clean design extends maintenance intervals with dirty samples

• Source tune parameters in the Autotune file

• Dual Filament design reduces maintenance intervals

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EI Source Details

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High Performance Collision Cell Design• Linear acceleration design is

optimized for high speed performance without ion ghosting or cross-talk

• MRM speed to 500 MRMs/sec allows determination of more compounds per ion group

• High sensitivity with wide mass bandwidth eliminates the need to “tune on my your Compound”for optimum sensitivity

• Helium seeded chemical noise reduction collision cell increases S/N.

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Q1-Collision Cell Interface

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Collision Cell Details(2 rods removed for clarity)

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High performance triple off-axis detector

• Ultra low neutrals noise• Long life and high linearity• Gain calibration corrects tune file for detector age to

allow repeatable long term method performance.• Same design as used in the 5975 GC/MSD

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Triple-Axis Detector

hyperbolic quartztransmission

quadrupoleanalyzer

triple channelelectron multiplier

high energy dynode

steering rod

ion beamX

Y

OffsetZshield for

secondary particles

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Q2-Detector Interface

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Autotune

• Proprietary program tunes the source, mass analyzer, and detector for (as applicable):– Ion transmission– Mass axis calibration– Mass resolution– Detector gain vs Voltage

• Autotune settings are saved with the method for repeatable method performance.

• Manual Tune override is available

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Performance

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Agilent 7000A 100 fg HCB Sensitivity2x10

0

0.2

0.4

0.6

0.8

1

1.2

1.4

1.6

1.8

2

2.2

2.4

2.6

2.8

3

3.2

3.4

Abundance vs. Acquisition Time (min)4.2 4.3 4.4 4.5 4.6 4.7 4.8 4.9 5 5.1 5.2 5.3 5.4 5.5 5.6 5.7 5.8 5.9 6 6.1 6.2 6.3 6.4

+ MRM (283.8 -> 248.9) 100fgHCB_newv ial_methHCB_MRM_PW1p21p2__527N2DAC_600HeDAC_35VColE_1e7Gain_2040EMV_0Baseline_12.d Noise (RMS) = 1.99; SNR (6.387min) = 146.3

6.387

146:1 RMS S/N vs Spec of 100:1

100:1Competitor 1>1000:1Agilent GC/QQQ

1pg HCB Benchmark comparison

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2x10

0.4

0.5

0.6

0.7

0.8

0.9

1

1.1

1.2

1.3

1.4

1.5

1.6

1.7

1.8

1.9

2

2.1

2.2

2.3

2.4

Abundance vs. Acquisition Time (min)0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2 2.2 2.4 2.6 2.8 3 3.2 3.4 3.6 3.8 4 4.2 4.4 4.6 4.8 5 5.2 5.4 5.6 5.8 6 6.2 6.4 6.6 6.8 7 7.2

+ MRM (272.0 -> 241.0) 100fgOFN_MRM_N2DAC1160_He18p5pct_30VColE_1e7Gain_2410EM V_GaugeOff_02.d Noise (RMS) = 1.10; SNR (5.471min) = 186.3

5.471

0.226 7.1216.025

1 1

Agilent 7000A OFN Sensitivity

272:241 Transition186:1 RMS S/N

100fg OFN in clean Matrix

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Innovation that led to this level of GC/QQQ sensitivity

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Helium Seeded Collision Cell

1 ml/min N2 Collision Gas

Q1 Ions In

Collision Cell Ions OutHe* +

He* + N2 N2+. + He

N2+. + A A+. + N2

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Helium Seeded Collision Cell

1 ml/min N2 Collision Gas

Q1 Ions In

Collision Cell Ions Out

2.5 ml/min He Buffer Gas

He* +

He* + He 2He + HeatHe* + N2 N2

+. + He

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Effect of Helium Buffer Gas Tested with HCB

S/N 341:1 Helium Buffer Gas OFF

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Effect of Helium Buffer Gas tested with Hexachlorobenzene

S/N 341:1 Helium Buffer Gas OFF

S/N 1294:1 Helium Buffer Gas ON

Noise Comparison

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Software

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Mass Hunter MS Workstation Software

• Modern software interpretation of the proven industry standard GC/MS Chemstation platform

• Single software Platform for all Agilent MS Systems– LC/SQ , LC/QQQ, LC/TOF, LC/QTOF– GC/SQ, GC/QQQ– ICP/MS

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GC/QQQ Software Modules

Acquisition

Analysis

Excel Reporting

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Instrument Control UI/navigation

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QQQ Acquisition Method Editor Dialog

Single window acquisition setup

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Agilent G7000A GC/QQQ

• Outstanding sensitivity 100fg of OFN on column at 100:1 S/N RMS in MS/MS mode using AUTOTUNE parameters verified at customer installation.

• 1050 amu Mass Range• 500 MRM/sec Speed• Reliable heated monolithic gold plated hyperbolic quadrupoles• Differentially pumped vacuum system• CI/NCI upgrade available• New Helium seeded collision cell technology• Agilent 7890 GC with Capillary Flow technology.• Mass Hunter Software.