GCMS-TQ8040...The GCMS-TQ8040 provides easy, front-opening access to all user-serviceable components without exposing the MS rods or detector, and without requiring additional linear

C146-E251

Gas Chromatograph Mass Spectrometer

GCMS-TQ8040

Smart Productivity, Smart Operation, Smart Performance

Finally, a triple quadrupole GCMS Smart enough for everyday use in your laboratory.

with Smart Technologies

LCMS-IT-TOFGCMS-TQ8040 LCMS-8030 LCMS-2020GCMS-QP2010 UltraGCMS-QP2010 SE

LCMS-8040 LCMS-8050 MALDI-7090iMScope

4

P. 6 to Smart Productivity

The Shimadzu GCMS-TQ8040 is the first triple quadrupole with Smart Productivity

for high efficiency sample throughput, Smart Operation for quick and easy method development,

and Smart Performance for low detection limits and Scan/MRM.

These 3 smart technologies contribute to Smart MRM, and provide the most accurate,

cost effective, and easy-to-use triple quadrupole GCMS you have ever imagined.

This new firmware protocol enables MRM analysis with up to

32,768 transitions in a single analysis. A simultaneous analysis

can be performed with a conventionally difficult number of

components, dramatically increasing productivity.

s with up to

eous analysiseous analysis

number of

.

5Gas Chromatograph Mass Spectrometer

P. 12 to Smart Performance

P. 8 to Smart Operation

GC-MS/MS analysis requires multiple settings that can be

confusing to the average operator. With Smart MRM,

the GCMS-TQ8040 software sets the analytical

conditions automatically, making method development

painless, fast, and easy.

The exceptionally efficient ion source and collision cell provide low detection limits. High speed scanning control

(Advanced Scanning Speed Protocol, or ASSP）and simultaneous Scan/MRM analysis mode provides high quality library

searchable fragmentation spectra, and accurate low-level quantitative data in a single analysis.

Typical Analysis

40min

MRM method 1

MRM method 2

Simultaneous Analysis MRM method


Simultaneous Analysis MRM Si ltaneous Analysis MRM methodmethod

Simultaaneous Analysis MRM method


6

Innovative Technologies that Improve Accuracy and Throughput

Thanks to two new technologies, the GCMS-TQ8040 enables

high-sensitivity, high-precision analyses, even in simultaneous

analyses with more than 400 components. For the first new

technology, a new firmware protocol was introduced. As a

result, data loading efficiency is improved, enabling MRM

analysis with up to 32,768 transitions in a single analysis. For

the second, “Smart MRM” was newly incorporated into the

software. This method creation function automatically sets the

optimal measurement time for each component. Data is only

acquired for the elution time for the target components, so

more components can be analyzed simultaneously than with

previous models, without compromising sensitivity even in

multi-component simultaneous analyses.

While 400 pesticide components are conventionally separated

for measurement in two or three methods, they can be

aggregated by the GCMS-TQ8040 into a single method, so

the number of analysis cycles can be significantly reduced.

Fenthion %RSD = 4.16% Pyributicarb %RSD = 2.39% Iprodione %RSD = 4.54% Indoxacarb %RSD = 4.03%

Mass chromatogram and %RSD (5 ppb)

1.0

2.0

3.0

4.0

5.0

6.0

7.0

8.0 278.00>109.00278.00>125.00278.00>169.00

12.75 13.00 13.25 13.50

(×1,000)

0.5

1.0

1.5

2.0

2.5 314.00>245.00314.00>56.00314.00>271.00

17.00 17.25 17.50 17.75

(×1,000)

2.5

5.0

7.5

264.00>176.00264.00>232.00264.00>148.00

21.25 21.50 21.75 22.00

(×100)

0.5

1.0

1.5

2.0

2.5

3.0 165.10>108.10165.10>93.00165.10>65.00

16.75 17.00 17.25 17.50

(×10,000)

5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5

1.0

2.0

3.0

4.0

5.0

6.0

7.0

(×1,000,000)

Simultaneous Analysis of 439 Pesticides Using UFMS and Smart MRM

120min

120min

80min

MRM method 3

40min


The GCMS-TQ8040 is capable of accepting installation of two

narrow-bore capillary columns into the MS simultaneously. This

allows you to switch applications without venting the MS.

Simply decide which column is best for your analysis and choose the

associated injection port.

CID gas control is a method parameter, allowing acquisition of GC-MS

and GC-MS/MS data in the same batch. By coupling this with the Twin

Line MS System, analysis of VOCs by SIM and analysis of pesticide by

MRM is possible in a single batch without venting the MS.

Run SQ and TQ Methods in a Single Sequence

*) The Twin Line MS System requires an optional installation kit and is limited to certain column dimensions.

Twin Line MS System Eliminates the Need to Vent the MS

Methamidophos in Ginger (10 ppb), Analyzed on Two Dissimilar Columns Using Smart MRM

SIMGC-MS (CID gas– Off)

MRM GC-MS/MS (CID gas– On)

141.00>95.00141.00>79.00

5.75 6.00 6.25 6.505.25 5.50 5.75 6.00

141.00>95.00141.00>79.00

Column 1 (SH-Rxi-5Sil MS) Column 2 (SH-Rtx-200 MS)

Twin Line MS System

8

Simplified GC-MS/MS method development

Smart MRM makes method development quick and easy.

Whether starting from scratch to optimize transitions and collision energies for new compounds,

or starting from an MRM database of known target analytes to build a custom MRM method,

Smart MRM takes the stress and difficulty out of method development.

Optimize MRM Transitions Automatically

Determining and optimizing MRM transitions for new compounds

can require significant development time. The “MRM Optimization

Tool“ automates the process by collecting product ion scan data and

finding the optimum collision energy for each transition.

Once established, the transitions are registered to one of the

Shimadzu “Smart Database” files, and the MRM or Scan/MRM

methods are created using Smart MRM.

MRM Optimization Tool


Compounds and Optimized Transitions

The Shimadzu “Smart Database” is a database of related compounds

(e.g. pesticides, drugs, metabolites, etc.) with optimized transitions

and collision energies, CAS registry numbers, and Retention Indices

(RI) . The user can select from hundreds of pre-registered compounds

in one of the “Smart Database” files, or add their own optimized

transitions. The user selects the compounds to be analyzed, and

Smart MRM builds the MRM or Scan/MRM acquisition method from

the “Smart Database” with the push of a button.

Automatic Method Creation

Shimadzu’s Smart MRM technology creates MRM and Scan/MRM methods by automatically adjusting

the analytical dwell times for each transition in a method. For multi-component analyses, with hundreds

of compounds and up to 32,768 transitions, adjusting the loop and dwell times for optimum sensitivity

can be complex and difficult.

Smart MRM

Smart Database

can be complex and difficult.

Smart MRM User Interface

10

GCMSsolution for Quick, Error Free Operation

1 n-alkane analysis 2 AART execution 3 Adjustment of retention times

The AART function adjusts the retention times of

target components based on linear retention

indices (LRI) and the retention times of n-alkanes.

The AART function easily adjusts acquisition and

processing method parameters simultaneously.

Automatic Adjustment of Compound Retention Time (AART)(Automatic Adjustment of Retention Time)

C17 C18 C19

1700 1735

1735

1800C17 C18 C19

1700 1800

Automatic adjustment

Identificationwindow

Analyte20 21 22

21.1 min(Calculated RT)

21.5 min(Originally registered RT)

Retention index

Retention index

Retention index

Originally registered method information

Customer's instrument

Updating compound retention times for low- to high-boiling compounds is simple and accurate.

Extensive Report Creation FeaturesGCMSsolution software allows the user to design, edit, and customize report formats

to meet individual program requirements.

Items to be included in reports can be pasted on a blank report page, and size and

position modified as needed. Macro functions are also available to display file names

or other necessary information.

In addition, a generous selection of report templates is available for various

applications, so even first-time users can create professional-looking reports easily.

Quantitation BrowserThe Quantitation Browser allows the user to review multiple data sets in the same

window. This permits the user to check chromatograms and quantitation results from

multiple samples with minimal switching between windows.

GCMS Browser Program


Smart and Easy Maintenance

MSNAVIGATOR Window

The Easy sTop navigator assists in taking the appropriate steps.

Many applications require that the injection port undergoes

maintenance on a frequent basis. With the GCMS-TQ8040,

maintenance is possible without venting the MS so downtime

is minimized.

Easy sTop Reduces Maintenance Time

When changing the ionization method, or performing maintenance on the ion source, the user

must access components inside the MS.

The GCMS-TQ8040 provides easy, front-opening access to all user-serviceable components

without exposing the MS rods or detector, and without requiring additional linear bench space.

“MSNAVIGATOR” provides step-by-step instructions for all user maintenance procedures at

point-of-use.

User Friendly

10 min5 min 180 min

Maintenance

Maintenance

Maintenance start

10 min 15 min

Injection port cooling AnalysisInjection portheating

Q8040, is minimized.

min 180 min

eanceInjection port

heating

Time savings of 3 hours

Injection port cooling Vacuumstopped AnalysisVacuum startup,

Attainment of maximum vacuum level, Stabilization,

Conventionalprocedure

Easy sTop

Ion Source

The line of sight with a flatarchitecture makes thefilament difficult to see.

Line of sight with this instrument

Pursuing a design with easeof maintenance in mind.

12

: Filament

Temperature

Low High

: Electric field

: Heat rays

Shield

Shield

240.90>205.90238.90>203.90

23.25 23.50 23.75 24.00

beta-Endosulfan

314.10>244.90314.10>56.10

26.50 26.75 27.00 27.25

Iprodione

The effect of the filament’s electric potential on the ion source is

reduced by placing more distance between the filament and ion

source box. In addition, a shield blocks out radiant heat generated

from the filament to ensure the ion source box temperature remains

uniform. Since this prevents any active spots within the ion source, it

provides higher sensitivity for analysis. (Patent: US7939810)

High-Sensitivity Ion Source

The high-efficiency ion source provides the foundation of an ion

generation and transmission system, which creates and then

delivers ions to the detector, resulting in a GC/MS with the

maximum possible sensitivity and repeatability. These features

are not realized just for MRM measurements by GC/MS/MS, but

also for scan and SIM measurements in single quadrupole modes,

even with the most reactive compounds.

Sensitivity and Repeatability in Single GC/MS Mode

MRM mass chromatogram (pesticides, 1 ppb)

Thiobencarb 5 ppbLeft: GCMS-QP2010 Ultra, Right: GCMS-TQ8040

(for RSD determination, n = 5)

100.0072.00

12.75 13.00 13.25 13.50

%RSD = 1.76 %

100.0072.00

12.75 13.00 13.25 13.50

%RSD = 1.44 %

N

O

O

S

OP

OO277

260

247214169150

125

9379

63

0 50 100 150 200 250 300 350

277260

247214169150

125

9379

63

0 50 100 150 200 250 300 35012.25 12.50 12.75 13.00

277.00

Scan mass spectrum of Fenitrothion Mass spectrum registered in NIST library

Q1 with post-rod achieves outstanding ion transfer efficiency

UFsweeper provides high ion transfer efficiency


High-Efficiency Collision Cell UFsweeper™

Lower detection limits are achieved by OFF-AXIS Ion Optics

(Patent Pending). Meta-stable and neutral ions are removed

without sacrificing sensitivity. Helium buffer gas is not required

in the CID cell.

OFF-AXIS Ion Optics

ASSP achieves scan speeds of 20,000 u/second. The rod bias voltage

is dynamically optimized during ultrahigh-speed data acquisition,

thereby minimizing the drop in sensitivity that would otherwise occur

above 10,000 u/second. This is necessary for maintaining sensitivity

at high scan speeds and acquiring superior mass spectra when

performing product ion scans or simultaneous scan and MRM

measurement in the Scan/MRM mode. (Patent: US6610979).

Scan/MRM simultaneous analysis is possible by coupling high speed

scanning with high speed MRM.

High-Speed Scanning Control (Advanced Scanning Speed Protocol, ASSP™ )

Scan(ASSP)

Scan 0.05 sec

MRM 0.1 sec Q1 Q3

MRM

max 20,000 u/sec

max 800 MRM/sec

SIM SIM CID

Black: 1,111u/secBlue : 10,000u/sec

Red : 5,000 u/sec

Newly Patented Technology (ASSP)

Diazinon

Propyzamide

Shimadzu's proprietary UFsweeper technology

achieves high-speed MRM analysis at speeds up to

800 transitions per second. It sweeps residual ions

from the collision cell to provide high-efficiency CID

and fast ion transport. Rapid ion removal minimizes

cross-talk and enables trace analysis (patent pending).

By switching rapidly between scan and MRM modes, data can be acquired using both modes in the same analysis.

Analysis of residual pesticides (Isoprothiolane 1 ppb)

15.1 15.2 15.3

290.00

15.115.0 15.2 15.3

290.00>204.00290.00>118.00

MRMSIM

14

Smart Solutions using GCMS-TQ8040

Pesticide Quick-DB is a software package that contains Scan/MRM

and Scan/SIM acquisition methods and pre-stored calibration curves

for over 450 pesticides. The Pesticide Quick-DB uses isotopically

labeled pesticide surrogates as internal standards for each compound

class to enable rapid, semi- quantitative results. In addition,

Scan/MRM simultaneously acquires qualitative mass spectra for

confirmation. When used with the Twin Line MS System, detected

compounds can also be confirmed on a second, dissimilar column

without venting the MS.

Pesticide Quick-DB

13.50

1.00

0.75

0.50

0.25

279.00>222.90279.00>204.90

13.75 14.00 14.25

(×10,000)

00

25

50

75

100%

50

59

65

97

117135

162

203

223

251259

279

305 341 365397173

100 150 200 250 300 350 400

MRM Mass Chromatogram and Scan Mass Spectra

The Calibration Curve andthe Standard Mass Spectra

Registered in Quick-DB(Dichlofenthion)

Quantitation

2.0

1.5

1.0

0.5

0.01000

area ratio

concentration ratio

0 50

6265

97

109133

162

205

223

251

253

279

173

100 150 200 250 300 350 400

6265

97

109133

162

205

223

251

253

279

173

100

％

75

50

25

0

Qualification

(×1,000,000)

Scan Chromatogram

MRM Chromatogram

Analysis of Pesticides in a Cabbage Extract Using Scan/MRM

11.0 11.5 12.0 12.5 13.0 13.5 14.0 14.5 15.0 15.5 16.0 16.5 17.0 17.5

1.0

2.0

3.0

4.0


Biological samples such as blood serum contain large amounts of

interfering co-extractants. Due to co-elution of components, some

compounds cannot be reliably analyzed using single quadrupole

GC-MS. MRM measurements eliminate the effect of interfering

background matrices, and enable the targeted compounds to be

accurately and reliably identified. The Metabolite Database

contains the information of a large number of metabolites included in

biological samples. Along with Smart MRM, it supports highly

sensitive metabolite measurement.

Metabolite Database

Comparison of MRM (Left) and Scan (Right) Mass Chromatogram for Metabolites in Standard Serum

7.5

5.0

2.5

15.0 15.5 16.0

131.10>73.00247.10>73.00

(×100,000)

2.0

1.0

15.0 15.5 16.0

247.00205.00

(×1,000)

1.5

1.0

0.5

32.0 32.5 33.0

285.10>147.10375.10>147.10

(×10,000)

5.0

2.5

0.032.0 32.5 33.0

375.00285.00

(×100)

3.0

2.0

1.0

4.0

43.5 44.0

307.10>218.10307.10>192.10

(×10,000)

7.5

5.0

2.5

0.0

43.5 44.0 44.5

424.10307.10

(×100)

3-Hydroxyisovaleric acid-2TMS

Aconitic acid-3TMS

Kynurenine-3TMS

16

Environmental Quick-DB enables rapid semi-quantitative analysis

of environmental pollutants by obtaining approximate concentration

from the scan data without requiring a preliminary calibration. In

addition, Scan/MRM measurement provides semi-quantitative

measurement of selected compounds by MRM, with qualitative

confirmation of each component detected during the analysis.

Environmental Quick-DB

Analysis Results of River water sample

Quantitative Results for Targeted Compounds (MRM)

7.5 10.0 12.5 15.0 17.5 20.0 22.5 25.0 27.5 30.0 32.5 35.0 37.5 40.0

(×100,000,000)1.25

1.00

0.75

0.50

0.25

Quantitative Results Using the Database (Scan)

Concentration: 1596.3 ng/L

Ibuprofen

Nonylphenol

135.00

(×1,000,000)

5.0

4.0

3.0

2.0

1.0

6.0

21.25 21.50 21.75 22.00


161.00

(×100,000)

1.5

1.0

0.5

2.0

19.25 19.50 19.75 20.00

PCB #52 (Tetra CB)

PCB #138 & PCB #129 (Hexa CB)



359.90>289.90357.90>287.90

(×100)1.50

1.25

1.00

0.75

0.50

0.2528.50 28.75 29.00 29.25

289.90>219.90291.90>221.90

(×100)

3.5

3.0

2.5

2.0

1.5

1.0

0.5

24.00 24.25 24.50


The Forensic Quick-DB enables highly accurate detection of over

1,000 compounds that are difficult to detect in the presence of

complex biological samples such as blood or urine.

The Forensic Quick-DB contains the mass spectra of compounds

such as drugs of abuse, psychotropic drugs, and other medicines in

blood and urine samples.

Forensic Quick-DB

Mass Spectra of Phenobarbital in Blood Serum Sample (Top) and the Standard Spectra of the compound registered in the Database (Bottom)

MRM Chromatograms for Whole Blood Sample

Diazepam Desmethyldiazepam Flunitrazepam

312>266286>240

(×10,000)5.0

4.0

3.0

2.0

1.0

23.75 24.00 24.25 24.50

242>207242>152

(×10,000)1.5

1.0

0.5

23.00 23.25 23.50 23.75

256>221283>248

(×10,000)

1.5

1.0

0.5

22.25 22.50 22.75 23.00

5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 25.0 27.5 30.0 32.5 35.0

2.00

1.75

1.50

1.25

1.00

0.75

0.50

0.25

(×10,000,000)

50

0

100

%

100 200 300 400 500 600 700

3977

117

161

204

232

50

0

100

%

100 200 300 400 500 600 700

146

117

5129

204

232

18

Smart Options

The DI Probe allows a sample to be introduced directly into the ion

source without being passed through a GC column. It is an effective

technique for obtaining mass spectra of synthetic compounds that do

not chromatograph well. A DI system can be incorporated into a

standard GC-MS configuration without making any changes to the

GC. It is then possible to switch between conventional GC column

chromatography and DI analysis without making any hardware

changes.

DI-2010 Direct Sample Inlet Device

In addition to commonly-used electron ionization (EI), both

chemical ionization (CI) and negative chemical ionization

(NCI) are available for the GCMS-TQ8040. The CI mode is a

“soft ionization” technique, used to detect many

compounds not possible by EI, and is suited for confirmation

of molecular weight. The NCI mode can be used to detect

functional groups having a high electron affinity such as

halogens. Any of three types of reagent gases (methane,

isobutane, or ammonia) can be used.

Chemical Ionization and Negative Chemical Ionization

Components that are thermally degradable or difficult to vaporize are not suited to GC analysis. Their

mass spectra can be obtained easily using the DI probe. Above is an example of Sn-phthalocyanine

spectra obtained using the DI Probe.

Mass spectrum of Sn-phthalocyanine

N

N

N

N

N

N

N

N

Sn

101

1000 200 300 400 500 600

124

188 248

316

632

118Sn

116Sn

120Sn

624

636

630

632

625 650

Separationcolumn

Backflush element

Restrictor

Advanced Flow Technology

Advanced Flow Technology (AFT) provides enhanced separation

power and operational efficiency for applications with complex

sample matrices. AFT enables reduced analysis times, enhanced

chromatographic resolution, and application-specific

configurations without compromising key performance features.

5.0

7.5

2.5

54.50 54.75 55.00 55.25

320.30264.00

(×1,000,000)C22:1 n-9

C20:3 n-3

%EI-GC-MS

Methyl erucate; C22:1 n-9

50

75

100

125

25

050 100 150 200 250 300 350

43.0

55.069.0

236.2 264.3

320.3

352.3152.1

0.500.751.001.251.50

0.25

55.75 56.00 56.25 56.50

(×10,000)321.30>289.30321.30>271.30 C20:3 n-3

%PCI-GC-MS/MS

50 100 150 200 250 300 350 400

50

75

100

25

0

97.271.2 149.2

163.2

247.2

303.3321.3

353.3

Precursor m/z 353.3CE:9V

Heart-Cut System Detector Switching SystemDetector Splitting SystemBackflush System


Eco Friendly

Equipping the instrument with “Ecology mode” reduces the power consumed in

analysis standby mode by 36%, compared with the previous model. For nighttime

GC-MS operation, Ecology mode can be set automatically, making it possible to reduce

unnecessary power consumption.

Saving Power Consumption with an “Ecology mode”for Reduced Instrument Running Costs

When Ecology mode is entered, unnecessary power consumption by the GC, MS, and

PC is automatically eliminated. The consumption of carrier gas is also automatically

reduced. Furthermore, Ecology mode can be entered automatically after continuous

analysis, so power and carrier gas can be saved automatically after the completion of

nighttime analysis.

Reduced Power Consumption inAnalysis Standby Mode

There is increasing public interest in reducing running costs

and environmental stress. Reducing power consumption is a

common concern in order to reduce both a laboratory's energy

cost and CO2 emissions. In addition, helium carrier gas is a

non-renewable, valuable natural resource.

The GCMS-TQ8040 has eco-friendly features for saving power

and carrier gas.

Eco-Friendly Design for Lower Running Costs in the Laboratory

If Ecology mode is used over one year of operation*, power consumption can be

reduced by 26% and CO2 emissions can be reduced by approx. 1.1 tons.

*) This is based on 6 hours of use per day for 260 days under our

standard analytical conditions.

Reduced Annual Power Consumption

Ecology mode screen

The ecology mode reduces power consumption during the analysis

standby mode. Consequently, it reduces heat output. The ecology

mode not only saves instrument energy, it also helps save on the

energy required to maintain the room temperature.

Reduces Power Consumption of Indoor Air Conditioning

This product is certified compliant with Shimadzu ECO-label standards. It consumes 36% less power than with the ecology mode switched OFF.

Standby inNormal (W)

760 W

Standby inEcology mode (W)

483 W

Pow

er C

onsu

mpt

ion

(W)

•Reduction by 36%

GC

GC

MS

PC

MS

PC

Ecology mode

5640 kWh

Pow

er C

onsu

mpt

ion

(kW

h)

•Reduction in power consumption by 26%

•Reduction in CO2

emissions by 1.1 tons

Normal mode

7640 kWh

GC

MS-TQ

8040

Printed in Japan 3655-03409-50ANS

Company names, product/service names and logos used in this publication are trademarks and trade names of Shimadzu Corporation or its affiliates, whether or not they are used with trademark symbol “TM” or “®”.Third-party trademarks and trade names may be used in this publication to refer to either the entities or their products/services. Shimadzu disclaims any proprietary interest in trademarks and trade names other than its own.

For Research Use Only. Not for use in diagnostic procedures. The contents of this publication are provided to you “as is” without warranty of any kind, and are subject to change without notice. Shimadzu does not assume any responsibility or liability for any damage, whether direct or indirect, relating to the use of this publication.

© Shimadzu Corporation, 2014www.shimadzu.com/an/

iMScope (page 3) may not be sold in your country. Please contact us to check the availability of iMScope in your country.

Documents

GCMS-TQ8040...The GCMS-TQ8040 provides easy, front-opening access to all user-serviceable components without exposing the MS rods or detector, and without requiring additional linear