Introducing the Agilent 7000A Triple Quadrupole GC/MS Paul - - PowerPoint PPT Presentation

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Introducing the Agilent 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)

Detector Quad 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

Precursor Ion Product 1 Product 3 Product 2

EI-SIM

selectivity proportional to spectral resolution no selectivity against ions with same m/z

EI-MS/MS

Precursor selectivity same as SIM

High probability that at least one product ions will be a unique dissociation product

• f 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 HCB

100 fg HCB in Clean Matrix 300 fg HCB in Diesel

Single MS: SIM 283.8 MS/MS: 283.8:213.9

S/N=6:1 RMS S/N=86:1 RMS S/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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P2

8E-5 Torr

P1

5-20E-5 Torr

Rough Pump He or H2 (1-8 sccm) CH4 (0-2 sccm) Edwards Edwards Split Flo Split Flow Turbo 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
• ptimized 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 quartz transmission quadrupole analyzer triple channel electron multiplier high energy dynode steering rod ion beam

X Y Offset Z

shield 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 Sensitivity

2

x10 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_newvial_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

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

1pg HCB Benchmark comparison

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2

x10 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_2410EMV_GaugeOff_02.d Noise (RMS) = 1.10; SNR (5.471min) = 186.3

5.471 0.226 7.121 6.025 1 1

Agilent 7000A OFN Sensitivity

272:241 Transition 186:1 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 Out He* + 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 + Heat He* + 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.