Introducing the

Agilent 7000A Triple Quadrupole GC/MS

Paul Zavitsanos, Joe Weitzel,

Monty Benefiel and Terry Sheehan
May 2008
Agilent Restricted
Page 1
 What’s a Triple Quad?

Agilent Restricted
Page 2
 GC/MS Triple Quad (QQQ)

Collision Gas (N2 )

Ion Source Detector

Quad 1 Hexapole Collision Quad 2
•Ionize Cell

Agilent Restricted
Page 3
 What is MRM MS/MS?
Multiple Reaction Monitoring
EI: many ions from the source
EI-MS/MS

Product 2

Product 1
isolate precursor Product 3
Q1 SIM before CID

CID + Q3 filter

Agilent Restricted
Page 4
 Why MS/MS?
Greater Selectivity Than SIM in complex
samples
EI-MS/MS
EI-SIM Precursor selectivity same as SIM
selectivity proportional to High probability that at least one product
spectral resolution ions will be a unique dissociation product
interference
no selectivity against ions of the precursor BUT not the interference
with same m/z
analyte
Product 2

Product 1 interference
Product 3

unit mass resolution

Precursor
Ion

The precursor ion should NOT be used for ion

ratios or quantitation since the interferences will
be the same as the SIM ion

Agilent Restricted
Page 5
 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

Agilent Restricted
Page 6
 Why a Triple?
A Picture is worth a thousand words.
GC/MS Single Quad
100 fg HCB SIM

MS SIM

GC/MS/MS QQQ MRM

EI 100fg HCB in
MS/MS MRM “DIRTY” Matrix

S/N: 116:1 RMS

Agilent Restricted
Page 7
 SIM vs MRM for HCB
100 fg HCB in Clean Matrix 300 fg HCB in Diesel
Single MS: SIM 283.8

S/N=26:1 RMS S/N=6:1 RMS

MS/MS: 283.8:213.9

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

Agilent Restricted
Page 8
 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

Agilent Restricted
Page 9
 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!!!

Agilent Restricted
Page 10
 Agilent 7000A Analyzer

Agilent Restricted
Page 11
 Analyzer Details

Agilent Restricted
Page 12
 High Performance Differentially
Pumped Manifold N (1 sccm) 2
He (1-5 sccm)

He or H2 (1-8 sccm) P1 P2 Collision Cell

CH4 (0-2 sccm) 5-20E-5 Torr 8E-5 Torr

Source Analyzer

Edwards
Rough Pump Split Flow Turbo

Agilent Restricted
Page 13
 Analyzer Details

Agilent Restricted
Page 14
 Analyzer Doors Open

Agilent Restricted
Page 15
 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

Agilent Restricted
Page 16
 EI Source Details

Agilent Restricted
Page 17
 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.

Agilent Restricted
Page 18
 Q1-Collision Cell Interface

Agilent Restricted
Page 19
 Collision Cell Details
(2 rods removed for clarity)

Agilent Restricted
Page 20
 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

Agilent Restricted
Page 21
 Triple-Axis Detector
Offset
shield for
steering rod secondary Z
particles
hyperbolic quartz
transmission high energy
quadrupole dynode
analyzer

Y
triple channel
ion beam electron
multiplier
X

Agilent Restricted
Page 22
 Q2-Detector Interface

Agilent Restricted
Page 23
 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

Agilent Restricted
Page 24
 Performance

Agilent Restricted
Page 25
 Agilent 7000A 100 fg HCB Sensitivity
+ M RM (283.8 -> 248.9) 100fgHCB_new v ial_methHCB_M RM _PW1p21p2__527N2D AC_600HeD AC_35VColE_1e7Gain_2040EM V_0Baseline_12.d
Noise (RM S) = 1.99; SNR (6.387min) = 146.3
x10 2
3.4
6.387
3.2

3
2.8

2.6

2.4

2.2

1.8
146:1 RMS S/N vs Spec of 100:1
1.6

1.4

1.2

0.8

0.6

0.4

0.2

0
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
Abundance vs. Acquisition Time (min)

1pg HCB Benchmark comparison

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

Agilent Restricted
Page 26
 Agilent 7000A OFN Sensitivity

+ M RM (272.0 -> 241.0) 100fgOFN_M RM _N2D AC1160_He18p5pct_30VColE_1e7Gain_2410EM V_GaugeOff_02.d

Noise (RM S) = 1.10; SNR (5.471min) = 186.3
x10 2
2.4 1 5.471 1
2.3
2.2
2.1
100fg OFN in clean Matrix
2
1.9
1.8 272:241 Transition
1.7
1.6
1.5
186:1 RMS S/N
1.4
1.3
1.2
1.1
1
0.9
0.8
0.7
0.6
0.5
0.226 7.121
6.025
0.4

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
Abundance vs. Acquisition Time (min)

Agilent Restricted
Page 27
 Innovation that led to this level of
GC/QQQ sensitivity

Agilent Restricted
Page 28
 Helium Seeded Collision Cell

1 ml/min N2 Collision Gas

Q1 Collision Cell Ions

He* +
Ions Out
In

He* + N2 N2+. + He

N2+. + A A+. + N2

Agilent Restricted
Page 29
 Helium Seeded Collision Cell

1 ml/min N2 Collision Gas

Q1 Collision Cell Ions

He* +
Ions Out
In

2.5 ml/min He Buffer Gas

He* + He 2He + Heat

He* + N2 N2+. + He

Agilent Restricted
Page 30
 Effect of Helium Buffer Gas Tested with
HCB

S/N 341:1 Helium Buffer Gas OFF

Agilent Restricted
Page 31
 Effect of Helium Buffer Gas tested with
Hexachlorobenzene

Noise Comparison
S/N 341:1 Helium Buffer Gas OFF

S/N 1294:1 Helium Buffer Gas ON

Agilent Restricted
Page 32
 Software

Agilent Restricted
Page 33
 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

Agilent Restricted
Page 34
 GC/QQQ Software Modules

Acquisition

Analysis

Excel
Reporting

Agilent Restricted
Page 35
 Instrument Control UI/navigation

Agilent Restricted
Page 36
 QQQ Acquisition Method Editor Dialog

Single window acquisition setup

Agilent Restricted
Page 37
 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.

Agilent Restricted
Page 38