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A new chapter
in GC-MS
Thermo Scientific Q Exactive GCOrbitrap GC-MS/MS System
32
“GC Orbitrap technology significantly expands the firepower of GC-MS, which will spark an acceleration in discovery for small molecule analysis across multiple applications.”
Dr. Alexander Makarov
Director of Research
Life Science Mass Spectrometry
Thermo Fisher Scientific
The Thermo Scientific™ Q Exactive™ GC Orbitrap GC-MS/MS system has finally arrived. For years,
scientists have demanded this highly anticipated, high-resolution, accurate-mass (HR/AM) system in
fields ranging from metabolomics to food safety, industrial, clinical, and pharmaceutical analysis. These
scientists understand the power that only Thermo Scientific™ Orbitrap™ technology can bring to the
detailed characterization of their most challenging samples.
Unprecedented Depth in GC-MS Analysis
Until now, GC-MS technology has been limited in its ability to collect
comprehensive qualitative and quantitative sample information with
high levels of selectivity, sensitivity and confidence; especially in highly
complex samples.
Today, the Q Exactive GC system makes this comprehensive analysis
a reality. It is an easy-to-use, dedicated benchtop GC-MS system that
provides the highest confidence in compound discovery, identification,
and quantitation for a comprehensive understanding of your samples.
This unmatched performance is achieved through the superior
resolving power, mass accuracy, and sensitivity that only Orbitrap
technology can deliver.
The capabilities of the Q Exactive GC system create a paradigm shift
for analysis of GC-amenable compounds and signal the start of an
exciting new chapter in GC-MS…
“The introduction of the Q Exactive GC
system is a game changer in this space.”
Prof. Joshua Coon
Department of Chemistry
University of Wisconsin, USA
Proteomics and Metabolomics
“This is clearly a major step forward.”
Dr. Hans Mol
RIKILT, Netherlands
Natural Toxins and Pesticides
“GC Orbitrap technology will bring a new level of performance to high resolution GC-MS.”
Prof. Jana Hajšlová
University of Chemical Technology
Prague, Czech Republic
Food Safety and Food Authenticity
“This is the technology platform I have been waiting for since I started in metabolomics.”
Dr. Karl Burgess
Glasgow Polyomics
University of Glasgow, UK
Metabolomics
i d e n t i f y
d i s c o v e r
54
the ultimate profiling toolSuperior Compound Discovery and Identification
The Q Exactive Orbitrap GC-MS/MS system provides you with the power to discover features within a sample that went unnoticed with
previous GC-MS technology. This unrivalled combination of high-resolution gas chromatography separations and highly sensitive HR/AM
acquisitions and intelligent identification software will help unlock answers to questions about the very nature of each sample you inject.
High capacity component detectionPart-per-trillion level sensitivity of the Q Exactive GC system in full scan with a wide dynamic range and HR/AM drives high capacity component detection, even in your most complex samples.
Highly resolved components for chemometric analysis and compound identificationIn addition to the highest quality raw data, the Q Exactive GC system uses newly developed specialist deconvolution software tools to automatically detect components within your sample and generate clean spectra for further data processing steps.
Principal component analysis (PCA) generated using Thermo Scientific™
SIEVE™ software during a study of the metabolic consequences of
perturbation to the pentose phosphate pathway in Leishmania mexicana
using the Q Exactive GC system: labelled glucose tracking metabolism in wild
type (WT) and transgenic mutant (TKT).
The Q Exactive GC brings highly resolved data that allows for
advanced deconvolution providing high quality inputs for downstream
contextualization software. – Karl Burgess
The ability to predict elemental formulae of each EI fragment is hugely powerful for metabolite identification.
– Karl Burgess
Powerful software for intelligent identificationThe Q Exactive GC system uses vast, readily available nominal mass electron ionization (EI) libraries (such as NIST and Wiley) to generate candidate compounds. Hits are verified using intelligent exact mass interpretation of the fragmented mass spectrum acquired. Customized HR/AM libraries can also be used
This technology will greatly facilitate the identification of unknown compounds.
– Joshua Coon
High confidence confirmationFor further information and/or confirmations of compounds, positive chemical ionization (PCI) can be used to yield molecular ions. These ions can be measured directly in the Orbitrap or after fragmentation in the HCD for further HR/AM investigation into the compound structure.
EI, PCI, and PCI – MS/MS spectra (60,000 resolution at m/z 200) of terbuthylazine with fragment
structure assignment using Thermo Scientific™ Mass Frontier™ spectral interpretation software.
High quality deconvolution of spectra from a Scotch whiskey sample during an authenticity study.
Automatic identification of unknown peaks was performed using intelligent identification software.
EI
CI MS/MS
0.56 ppm
0.58 ppm
0.14 ppm
0.07 ppm
0.18 ppm 0.44 ppm
0.25 ppm
CI
50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 0
20
40
60
80
100214.08533
173.04620
141.00049 216.08235
77.03861 170.02699 175.04320 104.00104 132.03233 158.02283 68.02437 145.01498 96.05561 110.04614 83.06037 119.03710 178.10860 160.01980
50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 0
20
40
60
80
100
Rel
ativ
e A
bund
ance
138.07743
174.05407
176.05108 214.08528 194.14000 202.08529
216.08239 156.02425
50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 m/z
0
10
20
30
40
50
60
70
80
90
100
172.03835 C 5 H 7 N 5 Cl 138.07741
C 5 H 8 N 5
110.04614 C 3 H 4 N 5 68.02435
C 2 H 2 N 3
145.01495 C 3 H 4 N 5 Cl
136.06178 C 5 H 6 N 5
79.00574 C H 4 N 2 Cl
104.00099 C 2 H 3 N 3 Cl
94.03996 C 4 H 4 N 3
214.08527 C 8 H 13 N 5 Cl
158.02276 C 4 H 5 N 5 Cl
71.06038 C 3 H 7 N 2 61.97932
C H N Cl
N
N
NH2+
N
N
NH
NH
NH2+
+NH2
NN
N
NH
NCl
N
NH
NH
+NH2 NCl
N
NH
N
NH2
+
NCl
N
NH
N
NH2
+
NCl
N
NH
N
+NH2
50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210m/z
0
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
180.00957
169.93473
73.01072 115.05767
63.94372142.99848
127.88781
95.91574
50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210m/z
0
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100 69.06994
129.03696
135.94709178.0418158.99523 146.0219285.01073 212.00284197.98722116.9828799.02645
153.03693
50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210m/z
0
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100 73.01070
105.99064
180.00956
169.93470
149.04536
115.05767
63.94372142.99847131.05261
78.96710
105.99065
Analyzing whiskey and pesticide samples, to my
surprise, many compounds where automatically identified.
– Jana Hajšlová
Co-eluting compounds are deconvoluted to obtain clean mass spectra
Full scan acquisition (60,000 resolution at m/z 200) of a food packaging sample from an
extractables and leachables study. A single, unidentified component is visible within the complex
matrix background.
d e t e c t
the ultimate screening toolPowerful, broad-scope sample screening and quantitation
Analyzing compounds present at low concentrations, quantitatively, with high selectivity using full scan acquisition has been out of reach for
GC-MS users for too long. Many leading laboratories in various fields require simultaneous targeted and untargeted sample screening, but
that need went unmet until now. Today, the Q Exactive GC system has the quantitative power of a GC triple quadrupole MS combined with
the high precision, full scan high resolution/accurate mass capability that only Orbitrap technology can offer. This combination will change
your workflows, forever.
Confident low-level detection and identification for high efficiency screening workflowsThe Q Exactive GC system offers routine operation, possible at 60k–120k resolution (at m/z 200) with sub-1 ppm mass accuracy and full scan sensitivity down to part-per-trillion concentrations. This capability drives truly powerful screening methods for food safety, environmental, anti-doping, and many other applications where ultra trace-level detection is required in difficult matrices.
The wide dynamic range of the system, along with its high sensitivity, will bolster all quantitative experiments dramatically.– Joshua Coon
Quantitation capability beyond that of other benchtop HR/AM GC-MS systemsUsing full scan acquisition, the Q Exactive GC system provides the quantitative capability of a GC triple quadrupole instrument operating in selected reaction monitoring (SRM) mode. Sensitivity,quantitative accuracy, precision, and linearity are excellent, even in complex matrices.
For pesticides, I could safely see very low levels.
– Jana Hajšlová
76
Mass accuracy across n=14 repeat injections of a baby food sample spiked
with several pesticides at 5 ng/g.
This technology provides an easier, more efficient, and more comprehensive way of
doing GC-based pesticide residue analysis.– Hans Mol
Thermo Scientific™ TraceFinder™ software uses Q Exactive GC system data and combines compound
detection, identification, and quantitation to enable high efficiency screening. It also allows
customizable, automated flagging for detected peaks along with highly flexible reporting tools.
Wheat matrix calibration curve of chlorpropham (0.5 ppb–50 ppb) including extracted quantifier and
qualifier ions at 0.5 ppb. Acquired using 60k resolution at m/z 200.
q u a n t i f y
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9
1
2
3
4
5
6
7
8
9
10
11
12
13
14 Bifenthrin
Chlorpyrifos-ethyl
Chlorthal-dimethyl
Clomazone
2-phenylphenol
Acetochlor
Benalaxyl
BHC, Alpha
Methacrifos
Metribuzin
Nitrothal-isopropyl
Oxadiazon
Pentanochlor
Permethrin
Phosalone
Pirimiphos-ethyl
Propanil
Quinomethionate
Tecnazene
1-14 injection number
Instrument detection limit (IDL) of 150 pesticides in mixed vegetable matrix using the Q Exactive GC
system (full scan 60k at m/z 200) and Thermo Scientific TSQ™ 8000 Evo GC-MS/MS system (SRM) with
a fast GC separation.
Q Exactive GC System IDL ng/g <0.5
0.5-1.0
1.0-2.0
2.0-4.0
TSQ 8000 Evo GC-MS/MS IDL ng/g <0.5
0.5-1.0
1.0-2.0
2.0-4.047%
22%
22%
9%
49%
16%
33%
2%
120k 60k 30k 15k chlorpropham 0.0 0.5 0.9 18.4 Procymidone 0.5 0.0 0.7 8.6 Iprodione 0.2 0.4 3.1 4.9
0.0
2.0
4.0
6.0
8.0
10.0
12.0
14.0
16.0
18.0
20.0
mas
s di
ffere
nce
[ppm
]
Effect of resolution (specified @ m/z 200) on mass accuracy for pesticides in leek
samples at 10 ng/g (above). Acquisition at 15k yield false negative results based
upon identification criteria. Chlorphropham example XIC, below, shows resolution
values of 60k and 120k, providing interference-free, confident detection with
excellent mass accuracy.
i d e n t i f y
30K
60K
120K Chlorpropham Matrix
Mass difference = 18.4 ppm
Mass difference = 0.9 ppm
Mass difference = 0.5 ppm
15K
Mass difference = 0 ppm
127.008 127.010 127.012 127.014 127.016 127.018 127.020 127.022 127.024 127.026 127.028 127.030 127.032 127.034 m/z
0
20
40
60
80
100
Rela
tive
Abun
danc
e
127.02067
127.008 127.010 127.012 127.014 127.016 127.018 127.020 127.022 127.024 127.026 127.028 127.030 127.032 127.034 m/z
0
20
40
60
80
100
Rela
tive
Abun
danc
e
127.02164 127.01821
127.008 127.010 127.012 127.014 127.016 127.018 127.020 127.022 127.024 127.026 127.028 127.030 127.032 127.034 m/z
0
20
40
60
80
100
Rela
tive
Abun
danc
e
127.02117 127.01826
127.008 127.010 127.012 127.014 127.016 127.018 127.020 127.022 127.024 127.026 127.028 127.030 127.032 127.034 m/z
0
20
40
60
80
100
Rela
tive
Abun
danc
e 127.01833
127.02118
127.02261
The operation and software handling is very simple. – Jana Hajšlová
98
BENT FLATAPOLE
For lowest possible noise and maximum
robustness
Thermo Scientific™ ExtractaBrite™ ION SOURCE
Robust, rugged electron impact (EI) and chemical ionization (CI) performance – proven
in routine applications in the Thermo Scientific™ ISQ™ and TSQ 8000 series GC-MS systems. Fully removable without breaking vacuum for
maintenance or switching to chemical ionization (CI). Also exchangeable for a unique source plug, making GC columns easily exchanged,
without venting the MS system
Fastest route to powerful dataWith the Q Exactive GC system it is easy to obtain powerful results. The instrument control page provides clear instrument status information, leak check is automated, and mass spectrometer tuning and calibration takes less than a minute.
Hexachlorobenzene ions
m/z 283.80962 m/z 248.84076 m/z 176.90601 m/z 141.93716Concentration ng/ml mass error (ppm) mass error (ppm) mass error (ppm) mass error (ppm)
0.2 0.5 0.2 0.2 0.2
1 0.8 0.4 0.2 0.3
2.5 0.7 0.4 0.0 0.3
10 0.8 0.7 0.1 0.4
50 0.8 0.8 0.1 0.5
1000 1.0 1.0 0.3 0.7
5000 0.8 0.8 0.2 0.5
250000 0.8 0.5 0.0 0.4
Average mass error (ppm) 0.8 0.6 0.1 0.4
ORBITRAP MASS ANALYZER
Incredible resolving power up to 120,000 FWHM at m/z 200, sub-ppm mass accuracy with a high acquisition rate, driving
unrivaled spectral quality
C-TRAPCurved linear trap for precise
ion injection—delivers excellent in-spectrum dynamic range and
ensures outstanding HR/AM performance across a wide range of concentrations through automatic
gain control (AGC)
HCD COLLISION CELLHigher-energy collisional dissociation for MS/MS
characterization of ions—used in combination with chemical ionization to help elucidate
chemical structures
ADVANCED QUADRUPOLE
TECHNOLOGY (AQT)High transmission of selected masses for low-level detection
and quantitation of low- abundance compounds
in highly complex matrices
150 160 170 180 190 200 210 220 230 240 250 260 270m/z
0
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100
Rela
tive
Abun
danc
e
235.00762R=118356C13 H9 Cl2
165.06989R=140457C13
H 9
199.03090R=126265C13 H8 Cl176.06205
R=134582C
14H8
212.03871R=119900C14 H9 Cl
239.00168R=120013C
13 H937Cl2
0.2 ppm
0.06 ppm
0 ppm0 ppm
0.06 ppm
p,p '-DDTC
14H
9Cl
5
bringing GC and Orbitrap technology togetherHigh performance, high productivity design
Time (min)
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1007.69
262.85651
7.675 7.680 7.685 7.690 7.695 7.700 7.705 7.7100
5
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7.69262.85651
7.69262.85654
7.69262.85651
7.69262.85657
7.70262.85651
7.69262.85651
7.70262.85654
7.68262.85654
7.70262.85657
7.68262.85657 7.70
262.85657
7.68262.85660
7.71262.856607.68
262.85660 7.71262.85654
0.7
0.6
0.3
0.6
0.5
0.3
0.3
0.3
0.5
0.6
0.7
0.5
R = 59097
0.5
0.6
1110
A step ahead in automated sampl ingA perfect match for the Q Exactive GC system, the Thermo Scientific™ TriPlus™ RSH autosampler utilizes robotic sample handling to expand automated capabilities beyond liquid, headspace, and solid-phase microextraction (SPME) injections to advanced sample handling cycles. Your results benefit from improved precision and reproducibility, while your laboratory gains unique advantages from the system’s unattended operations and sample handling flexibility.
• Automate basic sample and standards preparation procedures such as dilution, internal standard addition, and derivatization.
• High precison injection from low volumes to maximize your analysis opportunities with your most precious samples
• Automated toll exchange to switch between different syringes and techniques “on-the-fly”
Fast oven temperature cycling and excellent retention time performance mean that high-precison, high-productivity data sets can be realized. This type of data is especially important to facilitate statistics in larger batches, e.g., in “-omics”-type studies with many biological or technical replicates.
The TRACE 1300 Series GC quickly reaches near-ambient temperatures.
Warm-up Times. From OFF Conditions to Readiness (minutes)
Oven at 50 °C
Injector and Detectors at 250 °C
TRACE 1300 Series GC Standard GC
3.5 10.2
Outstanding retention time stability is achieved, even in the most complex GC and GC-MS applications, through the use of innovative and unique IEC (integrated electronic control) modules. This stability guarantees industry-leading 0.001 psi control through the entire working range. These miniaturized gas controls, integrated within every injector or detector module for compact, self-sufficient fully-featured devices, deliver strictly controlled pressure or flow to columns and detectors.Setting constant or ramped pressures and flows is easy through the software or the local user interface, while the electronic control maintains the stability during every run for exceptional retention time, accuracy, and precision. To further enhance analytical performance, the IEC module also supports the automated leak check of the injector and column installed and column evaluation procedures.
Retention time stability on 10 consecutive runs of hydrocarbon mix. Retention time standard
deviation is always ≤1/1000 minute.
Except ional Retent ion Time Stabi l i ty
Hydrocarbon Mean RT Min. Std. Dev. Min. Hydrocarbon Mean RT Min. Std. Dev. Min.
C12 4.6200 0.0003 C28 12.4725 0.0005
C14 6.0192 0.0004 C30 13.1348 0.0006
C16 7.2268 0.0005 C32 13.7557 0.0006
C18 8.3051 0.0005 C34 14.3395 0.0007
C20 9.2825 0.0006 C36 14.8908 0.0005
C22 10.1767 0.0006 C38 15.4118 0.0007
C24 10.9997 0.0004 C40 15.9063 0.0006
C26 11.7629 0.0005
1 µL splitless injection
40 ppm C20 in toluene
Volume in vial (μL) Peak area
50 81244277
40 80268993
30 82088809
20 82095395
10 84436788
5 84312030
RSD% 2.0
The TriPlus RSH autosampler provides excellent repeatability with
microsamples, down to 5 µL in a vial. This feature is particularly
interesting for trace analysis, radioactive samples, or samples
requiring expensive internal standards.
Tailor the Thermo Scientific™ TRACE™ 1310 Gas Chromatograph to
your needs with its proprietary user-exchangeable Instant Connect
injector and detector modules. Swapping modules is easy to do
by removing and replacing three screws, accessible from the top
of the GC. The entire process takes less than five minutes without
requiring specialized service assistance. This modularity enables
budget-conscious laboratories to purchase a base-configured GC
today, then easily expand their capabilities to accommodate new
applications and throughput demands tomorrow.
Instant Connect In jectorsInstant Connect SSLThe Instant Connect SSL (Split/Splitless) injector features an optimized thermal profile developed to avoid sample discrimination in split and splitless mode, allowing the broadest range of analytes to be accurately injected. Its cool injector head guarantees minimum thermal stress to the septum, therefore reducing bleed and extending septa lifetime. Also available with concurrent backflushing.
Instant Connect—PTVThe Instant Connect PTV (Programmed Temperature Vaporizing) injector combines the “discrimination-free” performance of a cold injector with the robustness of a vaporizing injector. Merging fast heating and cooling performance with the inertness of the injector chamber and large sample capacity, this injector is the ideal choice for trace analysis in dirty matrices and for thermally labile compounds. Also available with concurrent backflushing.
Instant Connect Helium Saver ModuleA unique solution to a difficult problem, this proprietary split/splitless injector module greatly reduces helium consumption, by using helium only to supply carrier gas flow to the capillary column, while using nitrogen for all other injection processes, including the septum purge, split, and sample vaporization.
Instant Connect DetectorsInstant Connect-FIDThe Instant Connect-FID (Flame Ionization Detector) offers the highest sensitivity and a wide dynamic range with rapid acquisition speed, making it ideal for extremely fast GC applications.
Instant Connect-TCDThe newly-designed micro-volume Instant Connect-TCD (Thermal Conductivity Detector) is used in a wide variety of capillary and packed column applications. Due to its exceptional thermal stability and fast response, this non-destructive detector provides exceptional sensitivity over the widest range of applications.
Instant Connect-ECDThe new Instant Connect-ECD (Electron Capture Detector) is excellently optimized for trace analysis in challenging samples. Its miniaturized cell, equipped with a purged, removable anode, has been designed to guarantee the utmost sensitivity while maximizing robustness towards the matrix effect.
Instant Connect-NPDBuilt upon the proven sensitivity of the Thermo Scientific Nitrogen Phosphorous Detectors (NPD), the new Instant Connect-NPD brings exceptional flexibility to the determination of specific components with the adoption of multiple dedicated ion sources.
Instant Connect-FPD The Instant Connect-FPD (Flame Photometric Detector) provides excellent sensitivity and response stability for the most demanding sulphur applications, as well as phosporous or tin determinations. Its extended operating temperature range and dual wavelength capability further expand its applicability.
Transcend the traditionalstep into modern gas chromatography
BR10445-EN 0415S
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THERMO SCIENTIFIC CHROMATOGRAPHY
COLUMNS AND CONSUMABLES
Get the most out of the Q Exactive GC system by pairing it with advanced, high-performance Thermo Scientific products. Our wide range of consumables and accessories offer customers applications-focused solutions in the environmental, food safety, toxicology, clinical, petrochemical, pharmaceutical and general analytical industries.
• Thermo Scientific™ TraceGOLD™ columns – low bleed, high reproducibility • Consumables tested and certified on the Thermo Scientific TRACE 1300 Series GC • Vials guaranteed for Thermo Scientific autosampler systems• GFM Pro Gas Flowmeter and GLD Pro Gas Leak Detector for system installation and maintenance• Derivatization reagents and Derivatization grade solvents
Learn more: thermoscientific.com/ChromExpert