Professional Documents
Culture Documents
GAS CHROMATOGRAPHY
Innovation with Integrity
Innovation in Gas Chromatography
Bruker’s long tradition of innovation and product reliability have combined to create the
next generation of Bruker Gas Chromatographs. By understanding and then designing
to exceed the most critical performance and reliability needs of GC users, Bruker is
delivering systems that are especially for, and all about, the ultimate success of the GC
user. The new SCION 436-GC and SCION 456-GC have have been designed to meet
the most important user specified requirements – reliable performance, ease of use
and simple maintenance.
Multi-language capability
SCION 436-GC
Choice of 7 GC
traditional detectors Choice of MS detector
• Universal • Single Quadrupole (MS)
• Specific • Triple Quadrupole (MS/MS)
SCION 456-GC
LAN
Targeted Solutions for Simulated Distallation
Specific Markets
A series of software customization
tools allow users to develop unique
calculation modules, that fully integrate
with CompassCDS. A large number of
standard plug-ins are available that allow
special reporting and other post analysis
functions. Some examples include:
Simulated Distillation
Provides automated boiling point
distributions for a full range of petroleum
products for applications that comply
with ASTM, IP, DIN and ISO standard
test methods.
Detailed Hydrocarbon Analysis
Reports in an automated way the CompassCDS PeakSynch
physical properties of gasoline and
similar products based on individual
components for applications that comply
with Bruker developed methods and
ASTM, IP and standard test methods.
CompassCDS PeakSynch
Provides rapid visual and quantitative
comparison of complex chromatograms
and is widely used in the flavor and
fragrance industry.
436 GC
Small dedicated high trough putt
system
Benefits of the
SCION-GC
n Multi-language User Interface
n Full EFC Capability
n High Pressure Injection
n IntelliUpdate
n System Suitability Determination
n CompassCDS Software
n 600 Hz Data Sampling Rate On All Detectors
n Inert GC Sample Path
n Constant Linear Velocity Mode
n Fast Cycle Time
SCION 436-GC
n Small foot print
n High performance
n Dual channel architecture
SCION 456-GC
n Solutions platform
n Total flexibility
n Four channel
architecture
Increased Productivity
With over 40 years’ experience in gas chromatography, we can provide
unrivalled expertise, not only in building robust instruments, but also
in creating solutions for ensuring productivity. W ith tot al control over
design and manufacturing , Bruker ensures the quality and technological
excellence of its products is complimented and combined with features
that deliver the true benefits of productivity.
minutes
IntelliUpdate
In many cases instrument and system
effects (column ageing, matrix, etc.) can
cause experimental deviations e.g.
retention time. CompassCDS
IntelliUpdate function can be used auto-
matically to correct and compensate for
such deviations. This unique capability is
also done without changing fundamental
instrument parameters, maintaining accu-
racy of results and method continuity.
Optimized Switching Valves Comparison analysis with and
Flow splitting, backflushing and Deans without backflush
Universal Specific
FID TCD PHHID MS ECD NPD (TSD) PFPD
✓ ✓ ✓ ✓
ca
A
d e mi
c
nv ✓ ✓ ✓ ✓ ✓
nt
E
ir o m e
Food
✓ ✓ ✓ ✓ ✓ ✓
B
ev
e
erag
rensic
Fo
✓ ✓ ✓
s
ox
y
T
ic o l o g
et
✓ ✓ ✓ ✓ ✓ ✓ ✓
P
ro le u
CP-840 0
n High throughput
n 100 x 2ml sample capacity
n Dual/Duplicate Injection
n SPME
CP-8410
n Flexibility
n Accommodates 2, 5, 10 ml vials
n Low cost/high performance
n Ease of use
SHS-40
n Fully automated
n Easily Integrated
n Low maintenance
n Sample Loop or Press and Inject configuration
PAL Combi-xt
n High throughput
n Liquid handling capability
n SPME
n ITEX
Bruker-Certified Consumables for
Your SCION GC Series
Bruker GC columns span a broad range of column diameters,
stationary phases, and capillary column materials: Fused Silica
(FS) and Inert Steel (IS). Ideal for either routine or research type
analyses.
Bruker GC column offerings bridge across many important
applications and include a number of offerings such as:
Standard WCOT (Wall Coated Open Tubular)
Solid Stationary Phase PLOT (Porous Layer Open Tubular)
Inert Steel Micro-Packed and Packed
Bruker Daltonics is continually improving its products and reserves the right to change specifications without notice.
Ultra-high capacity for long life, less change and improved
productivity
High-purity output ensures 99.9999% Pure Gas
“Quick connect“ fittings for easy, leak-tight filter changes
© BDAL 04-2012. #281754 Super Clean™ is a registered trademark of SGT Middelburg B.V.
Glass internals prevent diffusion; plastic externally for safety
Easy-to-read indicators for planned maintenance and
improved up-time
www.bruker.com/scion
SCION 436-GC
Specification Sheet
Environmental Conditions
Operating temperatures: 10 °C to 40 °C.
Operating humidity (relative): 5 % to 95 %
Line voltage requirements:, 120 V, 230 V (±10 % nominal)
Column Oven
Temperature Range (°C) 436-GC Rates (°C/min)
Dimensions: 23 cm (w) x 11 cm (d) x 28 cm (h)
Temperature range: 50 -70 170
Ambient +4 °C to 450 °C
70 - 115 105
Liquid N2: -100 °C to 450 °C
Liquid CO2: -60 °C to 450 °C 115 - 175 80
175 - 300 55
Temperature program ramps/holds: 24/25
Maximum temperature ramp rate: 170°C/min for all voltages 300 - 450 35
General Specifications
Up to 3 EFC modules total, injector, detector and auxiliary
Optional backflush
GC Control:
External events (digital output):
• 8 standard
• 8 optional, total 16
Max number of timed events: 30
Heated zones:
• Standard 5
Two power outlets 24V (1A max. each)
Logging:
Run log file (stored with the chromatogram when using CompassCDS)
Error log file
Local Display:
TFT full color screen
WVGA resolution (800 x 480)
Size 23 cm (9")
Local Control:
Touch screen
Hard keys
Languages:
English, German, French, Spanish, Italian, Portuguese, Cyrillic, Kanji, Chinese (standard and traditional),
Thai, Korean and Dutch.
Local automation:
Method lines: 25
Modes:
• Infinite looping
• Dual and duplicate injection
Communication
Ethernet: Protocol: TCP/IP
Data rate: 100 Mbps
Control: GC control and method parameters
Analog output (optional):
Number of channels: 1
Time programmable steps: 30
Output software selectable (set individual):
• 0-1 V (default)
• 0-10 V
Certifications
CSA:
• C22.2 61010-1
• UL 61010-1
IEC: 61010-1
EMC:
• 47 CFR part 15
• ANSI C63.4
• EN 61326
Temperature range:
Ambient +10 °C to 450 °C using air cooling
-60 °C to 450 °C using liquid CO2 cooling
-160 °C to 450 °C using liquid N2 cooling
Temperature range:
Ambient + 10 °C to 450 °C using air cooling
-160 °C to 450 °C using liquid N2 cooling
-60 °C to 450 °C using liquid CO2 cooling
Flash Injector
Pressure range: 0-150 psi
Total flow:
50 mL/min (Type 23 EFC)
Detector Options
Maximum detectors: two: operating concurrently (one of
which is a Single or Triple Quad MS)
Pneumatics: Electronic Flow Control (DEFC) or manual
Detector types:
FID Flame Ionization Detector
TCD Thermal Conductivity Detector
ECD Electron Capture Detector
NPD (TSD) Nitrogen-Phosphorus Detector
PFPD Pulsed Flame Photometric Detector
PDHID Pulsed Discharge Helium Ionization Detector
MS Mass Spectrometry (see GC/MS brochure and datasheet)
Note: Data Acquisition Rate : 600Hz for all detectors, exception is the PFPD
Operational quality:
Filament protection
Automatic bridge balancing
Detectivity:
S: 1 pg S/sec (S/P tube)
P: 100 fg P/sec (S/P tube)
N: 20 pg N/sec (S/P/N tube)
Detectors (DEFC)
Module types: 6 detector-specific modules
Accuracy: ± 7 % set point flow
Resolution: 0.1 or 1 mL/min
Automation Options
Modes of operation:
Liquid
Ambient headspace*
SPME (Solid Phase MicroExtraction)*
Sample heating and cooling*
CP-8400 AutoSampler
Modes of operation:
Liquid
Ambient headspace*
SPME*
Sample heating and cooling*
Pre-programmed modes of injection
Syringes:
• 1 μL, 2 μL, 5 μL, 10 μL, 100 μL, 250 μL for liquid injection
• SPME
* Optional
Modes of operation:
Liquid
Heated headspace*
SPME*
ITEX*
Sample heating and cooling
Additional optional modules: further sample trays, micro-well plate holders, wash station,
SPME fiber bake-out station, dilutor, barcode readers, and flowcell
* Optional
SHS-40
Th
Environmental Conditions
Operating temperatures: 10 °C to 40 °C.
Operating humidity (relative): 5 % to 95 %
Line voltage requirements:, 120 V, 230 V (±10 % nominal)
Column Oven
Dimensions: 28 cm (w) x 20 cm (d) x 28 cm (h)
Temperature range:
Ambient +4 °C to 450 °C Temperature Range (°C) 456-GC Rates (°C/min)
Liquid N2: -100 °C to 450 °C
Liquid CO2: -60 °C to 450 °C 50 -70 150
70 - 115 95
Temperature program ramps/holds: 24/25
115 - 175 70
Maximum temperature ramp rate: 150°C/min for all voltages
and 180 °C/min with oven insert accessory 175 - 300 45
300 - 450 30
Cool down rate: 400 °C to 50 °C in 4.5 minutes
Temperature set-point resolution: 0.1 °C
Ambient temperature reject <0.01°C change in oven for 1°C change in ambient temp
Retention time Repeatability <0.008% or < 0.0008 min, based on Pentadecane under temperature program
conditions
Area repeatability < 1% RSD
General Specifications
Up to 9 EFC modules total, injector, detector and auxiliary
Optional backflush
GC Control:
External events (digital output):
• 8 standard
• 8 optional, total 16
Max number of timed events: 16
Heated zones:
• Standard 5
• 4 optional, 9 total
Two power outlets 24V (1A max. each)
Methods:
Maximum stored internal methods: 50 (max. 30 alphanumeric characters)
Local Display:
TFT full color screen
WVGA resolution (800 x 480)
Size 23 cm (9")
Local Control:
Touch screen
Hard keys
Languages:
English, German, French, Spanish, Italian, Portuguese, Cyrillic, Kanji, Chinese (standard and traditional),
Thai, Korean and Dutch.
Local automation:
Method lines: 25
Modes:
• Infinite looping
• Dual and duplicate injection
Communication
Ethernet: Protocol: TCP/IP
Data rate: 100 Mbps
Control: GC control and method parameters
Analog output (optional):
Number of channels: 3
Time programmable steps: 30
Output software selectable (set individual):
• 0-1 V (default)
• 0-10 V
Certifications
CSA:
• C22.2 61010-1
• UL 61010-1
IEC: 61010-1
EMC:
• 47 CFR part 15
• ANSI C63.4
• EN 61326
Temperature range:
Ambient +10 °C to 450 °C using air cooling
-60 °C to 450 °C using liquid CO2 cooling
-160 °C to 450 °C using liquid N2 cooling
Temperature range:
Ambient + 10 °C to 450 °C using air cooling
-160 °C to 450 °C using liquid N2 cooling
-60 °C to 450 °C using liquid CO2 cooling
Flash Injector
Pressure range: 0-150 psi
Total flow:
50 mL/min (Type 23 EFC)
Temperature range:
-60 °C to 450 °C using liquid CO2 cooling
-185 °C to 450 °C using liquid N2 cooling
Temperature rate:
Ballistic for instant release of adsorbed volatiles
Available traps:
Two lengths
A wide range of standard packings and custom packings
Detector Options
Maximum detectors: four: operating concurrently (one of
which is a Single or Triple Quad MS)
Pneumatics: Electronic Flow Control (DEFC) or manual
Detector types:
FID Flame Ionization Detector
TCD Thermal Conductivity Detector
ECD Electron Capture Detector
NPD (TSD) Nitrogen-Phosphorus Detector
PFPD Pulsed Flame Photometric Detector
PDHID Pulsed Discharge Helium Ionization Detector
MS Mass Spectrometry (see GC/MS brochure and datasheet)
Note: Data Acquisition Rate : 600Hz for all detectors, exception is the PFPD
Operational quality:
Filament protection
Automatic bridge balancing
Detectivity:
S: 1 pg S/sec (S/P tube)
P: 100 fg P/sec (S/P tube)
N: 20 pg N/sec (S/P/N tube)
Detectors (DEFC)
Module types: 6 detector-specific modules
Accuracy: ± 7 % set point flow
Resolution: 0.1 or 1 mL/min
Automation Options
Modes of operation:
Liquid
Ambient headspace*
SPME (Solid Phase MicroExtraction)*
Sample heating and cooling*
Modes of operation:
Liquid
Ambient headspace*
SPME*
Sample heating and cooling*
* Optional
Modes of operation:
Liquid
Heated headspace*
SPME*
ITEX*
Sample heating and cooling
Additional optional modules: further sample trays, micro-well plate holders, wash station,
SPME fiber bake-out station, dilutor, barcode readers, and flowcell
* Optional
System Features
Fixed Sample Volume Configuration
SHS-40
Th
Gas Chromatography
Innovation with Integrity
Bruker Refinery Gas Analyzers
The source and composition of refinery gases varies considerably. Measuring gas
composition precisely and accurately is a significant challenge in today’s refinery
operations. Bruker’s refinery gas analyzers are designed to deliver superior, reliable
results for a wide range of sources and analysis throughput requirements.
FCC
Ethylene Propylene Propane Butylene
Overhead
Figure 4: The RGA analyzers are applicable to a variety of different hydrocarbon streams.
Bruker Refinery Gas Analyzers
streams.
A B
Suitability
Table 2: Multiple channels of data are conveniently combined into a single analysis report.
Peak Area
Peak Name Channel RT (min.) Result (g/l) Norm. (%)
No. (uV/Sec.)
Bruker Daltonics is continually improving its products and reserves the right
to change specifications without notice. © BDAL 05-2010, #CA-270385
For research use only. Not for use in diagnostic procedures.
www.ScionHasArrived.com www.Bruker.com
www.bruker.com/scion
Petrochemical
Gas Chromatographs
Analyzer Solutions
Solutions
Innovation with Integrity
Bruker has the experience and know-how to
provide pre-configured gas chromatographs
that are ready at power up to handle your key
applications. Our long experience in designing,
configuring and manufacturing complete sys-
tems, with all their analytical benefits, ensures
you get the solution that’s right for you. With
a host of standard solutions configured to
meet the performance specifications outlined
in international methods, and the capability to
produce unique, tailor-made solutions, we have
the answer that you seek.
All Hardware
Software (incl. special ”plug-ins”
where appropriate)
Pre-Installed methods
Bruker configures and tests GC hardware Test Chromatograms
and software according to widely used Installation/ Validation Data
industry standard methods (e.g. ASTM,
Trouble Shooting Guide
UOP, EN, ISO, GPA,…), to save its clients
User documentation customized for
time and to ensure confidence in results.
the specific method
Solutions are configured to meet the per-
formance specifications outlined in the set
method itself.
Bruker Simulated Distillation Analyzers
Carbon Number
1 2 3 4 5 6 10 16 20 30 44 60 80 120
000000
ASTM D3710 Gasoline
Key Benefits Include:
ASTM D7096 Gasoline including ethanol
ASTM D5399 Hydrocarbon solvents
ASTM D2887
ASTM D5442
Petroleum fractions
Petroleum wax
Accurate boiling point distribution
ASTM D7213
ASTM D6417
Medium petroleum distillates
Medium petroleum distillates
up to 750°C
ASTM D6352 Medium and heavy petroleum distillates
ASTM D5307 Crude petroleum
ASTM D7500 Medium and heavy petroleum distillate fractions Integrated standard test methods,
ASTM D7169 Crude oils and residues
DIN 51581‐2
applications fully comply with ASTM,
Medium petroleum distillates
DIN 51435 Medium and heavy petroleum distillates IP, DIN and ISO standard test methods
IP 406 Petroleum products
IP 480 Middle distillates and lubricating base oils
IP 507 Vacuum distillates and residues Complete, single vendor solution
IP 545 Crude oil
EN 15199‐1
EN 15199‐2
Middle distillates and lubricating base oils
Vacuum distillates and residues
Complete control from initial setup
EN 15199‐3 Crude oil to final report
ISO 3924 Petroleum fractions
0
‐200
‐328
‐100
‐148
0
32
100
212
200
392
300
572
400
752
500 600
932 1112
700 750
1292
800 °C
1472 °F
ASTM D86 and ASTM D1160
correlation
Characterization of Engine Fuels by Reduced Analysis Time and Figure 1: Traps are easily
Hydrocarbon Group Type Increased Sample Throughput accessible and do not require
Efficiency through the Use of any tools to install or replace.
Bruker’s PIONA+™ Analyzer is a highly “Concurrent” Heating
flexible GC analysis platform to obtain
comprehensive characterization and A unique aspect of the design of the
quantitative information, including Bruker PIONA+ system is the ability to
hydrocarbon group types, oxygenates independently heat the individual traps.
and carbon number distribution for spark
ignition engine fuels. This has 2 major operational benefits:
N+iP(6-10) A6/A7 >200C nP(6-11) A8/A10 >200C cO+iO(6-8) nO(6-7) N+iP+nP(5-11) A6/A7 >200C cO+iO+nO(6-8) A8/A10 >200C
+pN +pN
The stability, sample loading and lifetime for all of the critical chromatographic
components have been improved and optimized in the Bruker PIONA+ Analyzer.
Of special and particular note is the improvement in increasing the sample loading
capacity of the “olefin” trap. As a result, it is now possible to analyze streams with
olefin content as high as 35-40% or more. This makes it practical to employ a single
analytical method to obtain total olefin content (Table 2).
Table 2
Saturates Unsaturates
Carbon Cyclic Iso Normal Cyclic Iso Normal Aromatics Oxygenates Total
3 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
4 0.00 0.00 0.06 0.00 0.03 0.54 0.00 0.00 0.63
5 0.31 11.37 2.98 0.87 9.92 7.58 0.00 0.00 33.03
6 3.19 9.98 1.40 2.40 8.59 4.40 1.72 0.00 31.68
7 4.31 6.77 0.00 2.14 4.76 1.91 7.47 0.00 27.36
8 1.42 3.12 0.00 0.39 2.06 0.00 0.07 0.00 7.06
9 0.01 0.00 0.00 0.04 0.02 0.00 0.03 0.00 0.10
10 0.01 0.00 0.00 0.09 0.00 0.03 0.01 0.00 0.14
11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
Total 9.25 31.24 4.44 5.93 25.38 14.46 9.30 0.00 100.00
Example weight % report for a Naphtha sample with high (46%) olefinic content; (highlighted in blue).
1. Hydrogen 12 8
12
2. Carbon Dioxide
3. Hydrogen Sulfide
4. Oxygen
14 19
14 23
5. Nitrogen 19
24 25
26
18
21
26 11 13 15 16 1718 20 21
17 20 24 21
6. Carbon Monoxide 11
13
15
25 22
16 22
7. Methane 0 1 2 3 4 Min. 5
8. Ethane
0 4 8 12 16 20 24 Min. 28
9. Ethylene Figure 7: The analysis of light hydrocarbons using the Rapid RGA,
10. Propane with complete separation in less than five minutes.
11. Cyclo Propane Figure 6: The separation of light hydrocarbons
12. Propylene using the Standard RGA. 7
1
9
13. i-Butane
The source and composition of refinery Figure 8:
14. n-Butane 8 5
20. i-Pentane
of sources and analysis throughput
21. n-Pentane
requirements. Bruker Offers Two RGA Systems
22. 1, 3-Butadiene
23. Propyne to Meet the Widest Range of
Key Benefits: Analysis Requirements:
24. Butyne
25. C6+
26. Helium Pre-configured and tuned Standard RGA:
A three channel multi-valve design using
Standard methods including UOP 539, both capillary and packed columns.
DIN-51666 and ASTM D2163
Channel 1 - Analysis of permanent gases
Integrated micro-gasifier ensures
Channel 2 - Light hydrocarbons
complete vaporization of LPGs and
Channel 3 - Hydrogen.
high pressure samples to prevent
sample discrimination (option)
Total analysis time for all components in
Multi-channel approach 25 minutes.
Rapid RGA:
The Standard RGA packed columns
in the hydrogen and permanent gas
channels are replaced by micro packed
columns and installed in a separate
column oven. Key benefits of this
design are:
Flexibility
75000
18
70000
65000
60000 7
3
55000 4
8
50000
45000
17
40000
19
35000
30000
5
25000
1 15
20000
12 16
15000
9 10
10000 13
14
6
5000 2
11
0
-5000
0 3 6 9 12 15 18 21 24 27
Min
Figure 9: Typical chromatogram showing a wide range analysis of a liquid sample stream.
The determination of sub to high ppm The system is comprised of a Bruker GC Peak Identification
levels of ethers, alcohols, aldehydes configured with gas and liquid sampling 1. Diethylether
and ketones in different hydrocarbon valves, two high performance capillary 2. Acetaldehyde
matrices is a recurring challenge in the analysis columns, digitally controlled 3. Ethyl tert. Butyl ether
petroleum refining and petrochemical pneumatics including a ‘fluidic’ switch 4. Methyl tert. Butyl ether
industry. The Bruker Low Level and Flame Ionization Detector (FID). 5. Diisopropylether
Oxygenates Analyzer is an easy to use An optional ‘pressure station’ can be 6. Propanal
solution to meet this challenge and is added to eliminate the possibility of 7. tert amyl methyl ether
according ASTM D7423. losing sample due to evaporation when 8. Propylether
analyzing LPG. The GC is controlled via 9. Isobutyraldehyde
The Low Level Oxygenates Analyzer the CompassCDS Chromatography Data 10. Butyraldehyde
is designed and optimized to quantify Handling Software, which acquires data, 11. Methanol
ppm and sub ppm levels of ethers (e.g. processes it and generates analyses 12. Acetone
DME, MTBE, ETBE, DIPE), alcohols (e.g. reports. 13. Isovaleraldehyde
methanol, ethanol, propanol), ketones 14. Valeraldehyde
(e.g. acetone, MEK) and aldehydes in 15. 2-Butanone
various hydrocarbon matrices. In general, 16. Ethanol
all oxygenated components with a boiling 17. 1-Propanol
point of up to 100°C can be analyzed and 18. tert Butyl alcohol
the sample can be a gas, LPG or liquid & Isobutanol
under ambient conditions with a final 19. 1-Butanol
boiling point up to 250°C.
Bruker 4815 GC Oxygenates Analyzer
n-Propanol
tert-Amyl Alcohol
sec-Butanol
Benzene
iso-Butanol
TAME
Methanol
n-Butanol
MTBE
DIPE
c
ETBE
DME
Detection limits are at the ppb level Figure 13: LPG sample.
(Figure 13), depending on the component
of interest.
Total Characterization of
Ethylene Impurities
For a total characterization of impurities GC-1
in ethylene and also propylene six GC H2 Channel (TCD)
channels are required. By coupling two O2 /N2 Channel (TCD)
Bruker GCs with three channels each, CO, CO2 Channel (Methanizer/FID)
a comprehensive solution is available
for analyzing these components. The GC-2
channels used in this analyzer are Light Hydrocarbon Channel (FID)
analytical tools principally developed for Oxygenates Channel (FID)
the determination of different gases in Sulfur Channel (PFPD)
various hydrocarbon types of gaseous
matrices. The results (see figures 14 to 19)
demonstrate how this 6 channel
system is perfectly suited for the total
characterization of ethylene and its
impurities.
Figure 14: CO, CH4 and CO2 on GC-1. Figure 15: H2 on GC-1. Figure 16: O2 and N2 on GC-1.
Figure 17: Light hydrocarbons on GC-2. Figure 18: Oxygenates on GC-2. Figure 19: Sulfur components on GC-2.
Natural
Gas Analyzer
A Family of optimized GC Solutions
Gas Chromatography
Innovation with Integrity
Bruker Natural Gas Analyzers
Natural gas is bought and sold as a bulk commodity with price based on its energy
content. It is very important for all stakeholders in the natural gas supply and
consumer chain to accurately determine the heating value of their
streams. Bruker offers a full range of GC based solutions for the analysis of natural
gas. The analyzer family is designed to offer superior results through the use of
industry proven hardware, software, optimized columns and consumables, and is
backed by a team of global sales and support specialists.
Sample IN
gas analysis systems. As shown in Sample OUT
V-2
8
V-1
Carrier 2 IN 4 13
7
4
8 12
5
6
Molsieve
Column
Figure 5: Chromatogram of natural gas samples from ‘System B’.
1
Note separation of oxygen and nitrogen.
12
2
11 Vent
3
NV-1
10
V-2 TCD
4
9
Reference
5
8
7 6
Non-Polar
Pre- Non-Polar
Column Column
Flame-out
Buffer
FID TCD
Sample loop
Sample loop
13
4
11
V-1
8 7
Porous V-2
valve and 6 port valve. The 14 port valve Polymer 5
3
Molsieve
Column
Column
enables the system to introduce the 4
Non-polar
Capillary
Vent
sample stream simultaneously to three Column
Peak identification
1
1. Propane 12. 2,2,4-Trimethylpentane Peak identification
2
2. iso-Butane 13. n-Heptane 1. O2 /Ar
3 3. n-Butane 14. Toluene 2. N2
3 4
4. neo-Pentane 15. n-Octane 3. O2 /Ar/N2
5 5. iso-Pentane 16. Ethylbenzene 4. Methane Peak identification
1. O2/Ar
6. n-Pentane 17. m- + p-Xylene 5. CO2 2. N2
6 3. O2/Ar/N2
7. Cyclopentane 18. o-Xylene 6 6. Ethane 4. Methane
5. CO2
8. n-Hexane 19. n-Nonane 2 7. H2S 6. Ethane
7. H2S
9. Methylcyclopentane 20. 1,2,4-Trimethylbenzene
10. Benzene 21. n-Decane
11. Cyclohexane
8 1
5
12
9 11 13
7
16 17
4 18 20
10
14 7
15 19 21
0 1 2 3 4 5 6 7 Min. 8 0 2 4 6 Min 8
Figure 6: Chromatogram showing natural gas sample from ‘System C’ FID Figure 8: Chromatogram showing natural gas sample from
channel. Note individual separation of C6+ components ‘system C’ TCD channel.
Base Natural Gas Analysis Systems
(1)
Requires liquid nitrogen or liquid CO2 oven cooling
(2)
Requires 3rd dedicated channel
(3)
Requires additional channel including valve, columns and TCD
(4)
Requires LSV to be additionally installed
(5)
This method is specifically for sulfur components in natural gas,
therefore a sulfur selective detector must be used such as a PFPD
Sulfur components in Natural Gas
CompassCDS
Bruker Daltonics is continually improving its products and reserves the right
to change specifications without notice. © BDAL 08-2010, #CA-270375
For research use only. Not for use in diagnostic procedures.
www.ScionHasArrived.com www.Bruker.com
www.bruker.com/scion
DHA Analyzer Family
Optimized Solutions for Detailed
Hydrocarbon Analysis
Gas Chromatography
Innovation with Integrity
The DHA Analyzer is a complete high resolution
gas chromatography solution for the analysis
of hydrocarbons in petroleum streams. It
is capable of performing all of the standard
methods including the analysis of light
petroleum streams and crude oil light end.
Figure 7: These chromatograms illustrate the decreased analysis time using the “Fast DHA” method. Chromatogram of a naphtha sample
run on a 40 m X 0.10 mm X 0.2 µm film BR-DHA using the “Fast DHA” method (left). Chromatogram of the same sample, but run on a 100
m X 0.25 mm ID X 0.5 µm film BR-DHA column using standard method D6729 (right). Note reduced analysis time from ~80 minutes to ~20
minutes; almost four-fold.
- High performance capillary column # Time Index Name Grp Area Mass% Vol%
15 19,967 566,2 2-methylpentane iP 4,787E-003 2,425 2,998
on order) 19
20
21
21,680
22,615
22,862
588,1
600,0
602,3
1-hexene
hexane
t-3-hexene
nO
nP
iO
1,463E-005
4,991E-003
3,595E-005
0,007
2,528
0,018
0,009
3,097
0,021
all gases 29
30
25,407
25,867
625,1
629,3
2,4-dimethylpentane
2,2,3-trimethylbutane
iP
iP
6,777E-004
9,457E-005
0,342
0,048
0,411
0,056
Bruker compassCDS
ASTM D6730
31 27,080 640,2 4,4-dimethyl-1-pentene iO 1,411E-005 0,007 0,008
Data File
cP
D6730 4,203E-003
iP Reformate 1,576E-003
4,852E-005
2,122
0,796
0,024
2,529
0,922
0,026
41 30,483 670,8 iP 5,230E-003 2,640 3,099
sampler
3-methylhexane
42 30,952 675,0 3,4-dimethyl-c-pentene-2 iO 2,415E-005 0,012 0,014
43 31,263 677,8 c-1,3-dimethylcyclopentane cP
Physical Properties 8,679E-005
Report 0,043 0,046
44 31,622 681,0 t-1,3-dimethylcyclopentane cP 8,650E-005 0,043 0,046
software 54
55
56
34,473
34,710
35,162
703,5
704,6
706,8
t-Heptene-2
3-ethyl-2-pentene
c-Heptene-2
C4
C5
C6
iO
0,00
iO
0,32
iO
0,55
0,02 3,933E-005
0,18
2,12 2,443E-005
1,29
5,31 7,226E-005
2,53
0,000,019 0,00 0,022
0,080,012 0,00 0,014
0,210,036 6,00 0,041
0,00
0,00
0,00
0,20
3,81
14,61
C7 0,21
iO 6,86 5,939E-005
2,18 0,380,029 20,99 0,034 0,00 30,62
Computer/monitor
57 35,763 709,6 2,3-dimethyl-2-pentene
C8 0,23 1,98 0,74 0,63 24,54 0,00 28,12
C9 0,00 0,47 0,18 0,00 10,78 0,00 11,43
Date Printed 20-7-2012 13:45:22 C10 0,00 0,00 0,01 0,00 10,40Page 3 of 5
0,00 10,42
Created by DHA Reporter - Compass CDS
0,003.9.5
Reference chromatogram C4
C5
C6
0,00
0,34
0,60
0,02
2,76
6,53
0,25
1,67
3,10
0,00
0,10
0,25
0,00
0,00
5,53
0,00
0,00
0,00
0.28
4.86
15.99
C7 0,22 8,09 2,58 0,44 19,53 0,00 30.85
Bruker Daltonics is continually improving its products and reserves the right
to change specifications without notice. © BDAL 05-2010, #CA-270364
For research use only. Not for use in diagnostic procedures.
www.ScionHasArrived.com www.Bruker.com
www.bruker.com/scion
Bruker Daltonics
MALDI Biotyper
Microorganism Identification and Classification
MALDI-TOF
think forward
Identify Microorganisms in Minutes
Sophisticated instrumentation
With robust and reliable Bruker
Daltonics FLEX series instrumentation,
fast measurements with high
reproducibility are possible. The high
sensitivity of the instruments allows
identification of minimal sample
amounts. When employing the renow-
ned Bruker AnchorChipTM technology,
scientists need even less biological
material.
The molecular fingerprint is used
for pattern matching. Sophisticated
recalibration and statistical algorithms
allow robust and accurate identification.
Matching scores supported by color
Performance on the bench: the microflexTM
codes are used for ranking of results.
Ready-to-Go database
MALDI Biotyper integrates a ready-
to-use reference library comprising
thousands of individual species and is
growing continuously.
The system is open and can be easily
expanded by specific requests of the
user including data for ID of bacteria,
yeasts and fungi.
The Workflow: Only Little Interaction Required
1. Open MALDI Biotyper control wizard
4. Initiate measurement
5. Receive results
Identification by peak-matching
Full Bioinformatics
Capabilities
Sub-Typing
In depth analysis of acquired data sets is
possible by applying different bioinforma-
tic tools like weighted pattern matching
algorithms, correlation and principal
component analysis.
Dendrogram generation
Samples
Bacteria (gram+ / gram-), yeasts, fungi
Instrumentation
Fast measurements with high reproducibility on a microflexTM, autoflexTM
or ultraflexTM MALDI-TOF mass spectrometer
Software
MALDI Biotyper, COMPASSTM for FLEX series incl. flexAnalysisTM
Speed of analysis
Minutes from colony to result for a single sample,
approx. 1.5 hours from colony to result for 96 samples
Bruker Daltonics is continually improving its products and reserves the right
tion of microbial species.
Bruker Daltonics MALDI
to change specifications without notice. © BDAL 08-2008, LS-30/3
Biotyper is well suited for
this purpose as it fulfills
these requirements and as it
has proven to be very robust
and reproducible.”
Prof. Dr. Erko Stackebrandt,
Managing Director of DSMZ
ICP-MS
Innovation with Integrity
Your Partner in ICP-MS Solutions
The ion mirror* reflects By keeping photons The aurora M90 CRI II*
the ion beam through 90 and neutrals away from provides faster, more
degrees, focusing the the mass analyzer, the flexible, interference-free
analyte ions into the qua- ion mirror greatly reduces analysis.
drupole with the highest background signal. *US Patent 7,329,863 B2
possible efficiency. *US Patent 6,614,021 B2
Fast, Flexible, Interference-Free
Analysis
Bruker is proud to bring you CRI II, now It’s that simple!
even simpler to use and more effective
No need for expensive or corrosive
at removing troublesome interferences
gasses such as ammonia or methane,
from your sample analysis.
so laboratory costs are reduced.
The CRI injects helium (He) and hydrogen
No additional cleaning as CRI forms
(H2) collision and reaction gasses directly
part of the cone interface, making
into the plasma as it passes through the
this interference management system
orifice of the skimmer cone.
maintenance-free.
This innovative approach suppresses
interferences before the analytes are Choose your analysis mode
extracted into the ion optics.
CRI II universal analysis mode provides
fast and accurate results for samples
routinely encountered across the wide
range of environmental and industrial
monitoring processes.
While multi-mode delivers the
ultimate in performance and flexibility
for any sample type including those less
Gas
routine in nature.
So if you need absolute confidence in
your results, no matter what the sample,
New clean
Original CRI II is the answer.
plasma Reaction zone
plasma jet
expansion
Gas
Mass scan with and without CRI
1.0E+07
1.0E+06
1.0E+05
c/s
1.0E+04
1.0E+03
1.0E+02
1.0E+01
1.0E+00
43 45 47 49 51 53 55 57 59 61 63 65 67 69 71 73 75 77
amu
Clean water Clean water with CRI
Fully-integrated HPLC
interface makes light
work of speciation
applications.
Choose from a
range of accesso-
All PFA sample introduction ries to meet your
Boost the performance
kits allow direct analysis of sample handling
of your aurora M90 by
samples containing free HF requirements.
adding the nitrox 500.
acid.
Determination of As in Cl
containing samples
Use CRI II in H2 mode to remove the ArCl
interference when determining As in high
chloride containing samples like blood,
serum and urine.
20
56
15 Fe 404 – 460 mg/L 420 mg/L
75
10 As 1.4 – 2.2 1.8
5 78
Se 74.4 – 85.2 77.2
0 206, 207, 208
1% HNO3 0.1% HCI 0.5% HCI 1% HCI 2% HCI Pb 26.2 – 29 27.6
238
75
As with CRI 75
As without CRI
U 0.16 – 0.18 0.17
Comparison plots showing 1 µg/L spike recoveries Obtain accurate results in complex biological
for 75As without correction equations. matrices. Above, certified and measured values
ArCl interferences are removed, allowing accurate for Reference Whole Blood Seronorm WB1 show
trace level quantification of As. that trace and major levels can be determined with
accuracy and confidence using CRI II.
Unrivalled Performance
1000
100
10
Normal mode
mg/L
100
High sensitivity mode
10
µg/L
100
10
ng/L
Achieve levels of detection never seen before in ICP-MS.
100 Above, a typical calibration for 194Pt in chloroplatinin acid
in the ng/L to sub-ng/L range used in the determination of
10
pharmacologically active Pt tracers of anti-cancer drugs.
pg/L
Setting the Benchmark for Ease-Of-Use
Bruker Daltonics is continually improving its products and reserves the right
to change specifications without notice. © BDAL 03-2011, #CA-270102
www.bruker.com/chemicalanalysis
impact
Maximum Impact – Definitive Answers
UHR-TOF MS
Innovation with Integrity
Redefining Accurate Mass LC-MS/MS
Dual Stage
Reflector
Flight Tube
with in-flight focussing for
full sensitivity resolution
High Transmission
CID Cell
Quadrupole
Patented Dual
Ion Funnel
Long Life
ESI Source Flash Detector
386.2548
4 orders of fundamental dynamic range 1+
386.2553 Massaccuracy
Mass accuracy better
beter than
than 1ppm
1ppm
1+
achieved without artificial compensators 386.2550
1+
Resoluion25k-30k
Resolution 25k-30k
386.2548
allows simultaneous measurement of 1+
386.2549
1+
major and trace sample components in a 1+
386.2552
386.2548
1+
2 387.2578
1+ 30Hz
R = 0.9994 387.2578
25Hz
1+
387.2579
1.0E+07 20Hz
15Hz
10Hz
5.0E+06 5Hz
LOD = 0.05 ppb (100 fg 386.0 386.5 387.0 387.5 388.0 388.5 m/z
1Hz
absolute on column)
0.0E+00
0 50 100 150 200 250 300 350 400 450 500 MS of Buspiron acquired at 1Hz up to 50 Hz spectra to disk.
conc [ppb] Resolution and spectral accuracy maintained even at maximum speed
LOD = 0.05 ppb (100 fg absolute on column)
Qualitative and quantitative results from a single auto MS/MS run
Intens.
x10 6 Intens. 8. +MS, 4.99-5.16min #2324-2422
5
1 TIC
[%]
100 4 MS 223.0750
153.1271
4 80
3 60
196.1697
2
40 135.1160
167.1056
185.1172
109.1008
20 100.0754
1
matrix background 81.0694
123.1161 253.1801
0
0
4 5 6 7 8 Time [min] 25 50 75 100 125 150 175 200 225 250 m/z
Intens.
Intens. 8. +MS2(223.0750), 20.0eV, 4.99-5.16min #2325-2425
x104
[%]
6 MS/MS
4
2 hrXIC 5 mDa selectivity 100 56.0498
80
5 Isotopes
3
60
40
126.0110
1
20 223.0745
167.1066
0
0
4 5 6 7 8 Time [min] 25 50 75 100 125 150 175 200 225 250 m/z
Intens.
x104 1. TIC from complex sample (60 pesticides spiked into ginger extract (QuEChERS)).
4 3 hrXIC zoomed hrXIC 2. High resolution extracted ion chromatogram (hrXIC) of m/z 223.0745 with 5mDa
discrimination width (Acetamiprid).
3
3. Magnified LC peak. High speed acquisition rate in MS and MS/MS mode (MS: 100ms,
100 data points MS/MS: 20ms spectra time). 100 data points across this LC peak allows precise quantitation.
2
MS and MS/MS 4. High resolution survey MS with m/z 223.0745 selected as precursor.
1
5. High spectral accuracy means isotopic fidelity for identification certainty.
6. High sensitivity MS/MS spectrum even at very low MW (56.0498 m/z) for confirmation
0
4.95 5.00 5.05 5.10 5.15 5.20 5.25 5.30 Time [min]
by fragment information.
Precisely Targeted Small Molecule Analysis
Ideally suited for broad band Multi-target screening at 2mDa hrXIC selectivity
multi-target screening Intens.
x105
Mix200_50ppb_GB3_05_997.d
tool available.
EICresolution
2 mDa high width 2 mDa
XIC from 200 pesticides. Each color represents the hrXIC
of one pesticide. Sample at a concentration of 50 ppb each separated with
U- HPLC maXis impact.
Triple quad sensitivity and quantitation with high-res, accurate mass The maXis impact encapsulates the
capabilities of low fg range sensitivity
with more than four orders of magnitude
dynamic range and quantitative capacity
along with the performance of an
4 orders of magnitude exceptional high resolution accurate
mass instrument. The simultaneous
combination of attributes is ideal for
many discovery, development, screening
and drug metabolism applications which
often require both the identification and
quantitation of sample components
that vary widely in both structure and
concentration.
Very low LOD Excellent for use in the analysis of both
known and unknown compounds, the
maXis impact represents a new level of
Intens.
2
0
9.00 9.25 9.50 9.75 10.00 10.25 10.50 10.75 11.00 Time [min]
HO O
1+
O
1+
949.4278
O
O
Intens.
x105
1.2
Fragment Explorer
C 15 H 23 O 12 , 0.32 mDa,
1.0
C 44 H 69 O 22 , 0.81 mDa,
C 26 H 41 O 4 , 0.1 mDa,
0.8
271.2420
C 15 H 21 O 11 , 0.061 mDa,
C 15 H 19 O 10 , 0.25 mDa,
C 15 H 25 O 13 , 0.35 mDa,
C 18 H 23 O 15 , 0.37 mDa,
C 18 H 25 O 16 , 0.41 mDa,
C 24 H 31 O 18 , 0.48 mDa,
C 24 H 33 O 19 , 0.45 mDa,
C 24 H 37 O 21 , 0.25 mDa,
C 24 H 39 O 22 , 0.38 mDa,
C 29 H 43 O 8 , 0.31 mDa,
C 29 H 45 O 9 , 0.16 mDa,
0.6
683.3637
395.1184
0.4
417.2999
949.4275
C 20 H 33 O 1 , -0.15 mDa,
C 26 H 39 O 3 , 0.13 mDa,
643.1716
0.2
661.1822
537.3058
0.0
300 400 500 600 700 800 900 m/z
LC auto MS/MS survey. The human cell line HT29 is an established model
system to study colon cancer progression. A 1 µg digest of HT29 cells was
separated on a RSLCnano system (3 h gradient, 25 cm column) and measured
on a maXis impact with a captive spray source.
Identification over a dynamic range of 4 decades of concentration from complex samples Real-life MS mass accuracy
4 decades of concentration
1.1 pmol
110 fmol
11 fmol
1.1 fmol
0
18265.0 18267.5 18270.0 18272.5 18275.0 18277.5 18280.0 18282.5 18285.0 18287.5 m/z
Source Options
Wide choice of ionization and coupling techniques for
a broad range of sampling including insoluble compounds: GC-MS
coupling
GC-MS coupling
APCI II (atmospheric pressure chemical ionization) source
with direct probe
APPI II (atmospheric pressure photo ionization) source Solid probe
CaptiveSpray LC-MS source mounted on an
CE-MS coupling with grounded needle APCI II source
Bruker Daltonics is continually improving its products and reserves the right
LC Options
to change specifications without notice. © BDAL 06-2011, #276708
Bruker fully supports and integrates a wide range of leading
HPLC systems, autosamplers and accessories.
APPI II source
www.bruker.com/maXis
PesticideScreener™
A complete multi-residue solution for pesticide
screening using high resolution full scan
accurate mass data
LC-MS
Innovation with Integrity
The Challenge of Ever Increasing
Number of Targets
Pesticides have become a ubiquitous element in our food
production cycle. As a consequence, their residues in
consumers products must be suitably controlled. Accurate
and reliable screening for the presence of pesticides in food
is therefore a critical analytical task.
A Ready-To-Go Solution
in Your Hands
Bruker’s PesticideScreener delivers a com- Identification of compounds is based
prehensive screening solution for pesticides on combined scoring of mass accuracy,
and plant metabolites in food. Market-lead- isotopic patterns and retention times and,
ing Q-TOF mass spectrometry technology optionally, MS/MS qualifier ion fragment
is combined with a high-quality compound data. The powerful package enables
database and a rigorously tested method, confident and comprehensive multi-
ready developed using SANCO guidelines. target analysis of pesticides in food in a
single LC-MS run.
Our Workflow Solution
Sample Pesticides
QuECHERS extract food, feed, water
LC-QTOF-MS
U-HPLC + maXis impact
Sub-ppb sensitivity Multi-target screening application s/w
Full sensivity resolution
1-2 mDa hrXIC
true isotope pattern
Processing: In-silico
TargetAnalysis retrospective
High Quality analysis
Pesticide Database of new targets
Identification
Confirmation
Quantitation
Reporting
maXis impact delivering wide dynamic range for quantitation of
screening results: example calibration curve for methomyl
Complete solution consisting of U-HPLC & QTOF hardware, applications software, ultra-stable LC-MS methods for
the entire workflow. Plus high-quality multi-target screening database.
Automation & High-Quality
Database
hrXIC = High-resolution extracted ion chromatogram / XIC of the mass +/- 2 mDa
Intens.
x106
2.5
2.0
BPC
1.5
ragm 165
Linuro
1.0
Methoxyf e
Imazalil
Carbaryl Phosmet Fludiox
Bos
0.5
Azinphos-methyl Fragm 1
Meth
Dimetho
Azinphos-methyl Fragm 1
DimethomorphChlo
0.0
1 2
4
3
5
7
8
6
91112
10 15
14
16
13 17 1820
19
22 23
21 24
25
28
29
26
27
31
30
34
32
33
35 36
37
42
38
39
4044
41
4345
49
46 474850
51 55 5859
54 56
5253 57 64
62
6061
63 65
66 68
6774
71
73
70
72
69 75
77 78
76
7982
80
88
83 86
81 85
84 90 92
8789 91 93 95
96 101
98
102104
94 97100
99
103105
107
1
106
108 09
110 111
112
115
113
114
Chlorantraniliprole
2 4 6 8 10 12 14 Time [min]
Intens.
Azoxystrobin(Guthio
Azinphos-methyl Fragm
x104 Carbaryl Fragm 145
arbaryl (NH4) Phosmet (NH4)
8
Flud
hrXIC 8
Methamidophos Pyriproxyf en
4
Trif loxystrobin
Amitrole
Cyprodinil
Propargite (NH4)
Diazinon
Pyraclostrobin
Carbendazim Ethion
Phosmet Fragm 160
Methomyl Fragm 88 Pirimicarb
Oxamyl Fragm 72 Carbof uran Metalaxyl Pyrimethanil
Methomyl
OxamylMonocrotophos
Fragm 90 Thiabendazole
Fragm 127
2
Azoxystrobin Quinoxyphen
Acetamiprid
Thiacloprid
Triazophos Spinosad AIndoxacarb
(Spinosyn A)
Monocrotophos Dimethoate Carbof uran Fragm 165 Bif enthrin (NH4)
Methomyl Fragm 106 Linuron Kresoxim-methyl
Tebuf enozide Fragm 297
Prochloraz Cyhalothrin. lambda- (NH4)
Imidacloprid Butocarboxim Fragm89
75 Penconazole Prof enophos
Omethoate Monocrotophos Fragm 98 Aldicarb Fragm Methoxyf enozide Fragm 313
Imazalil
Tebuconazole
Carbaryl Phosmet Dif enoconazole Peak 21
Fludioxonil (NH4)
Boscalid Propargite Fragm 231
Chlorpyriphos
Azinphos-methyl Fragm 132 enozide EPN
Methoxyf
Dimethomorph Peak 2
Monocrotophos Fragm 193
Carbendazim Azinphos-methyl Fragm 160
Dimethoate FragmFragm
199 160 Tolyf luanid
Tolyf luanid
Kresoxim-methyl Fragm
Fragm Indoxacarb
137
206 (Na)
Dimethomorph Peak 1 Fenhexamid
Chlorpropham FragmTebuf
Myclobutanil
Triadimenol
172 enozide
II Fragm
Spinosad A (Spinosyn A) Fragm 544
70 luanid (NH4)
Ethion Fragm 199 Etof enprox Fragm 359
Tolyf Pendimethalin
Chlorantraniliprole Cypermethrin II (NH4)
Oxamyl (NH4) Azoxystrobin(Guthion)
Fragm 372 Fragm 238FragmSpinosad
Tolyf luanidProchloraz 308
D Pendimethalin Fragm
Cyhalothrin. 212
AvermectinB1a
Cypermethrin
lambda- (Abamectin) (NH4)
III (NH4)
(Na)
Azinphos-methyl Triadimenol II Chlorpyriphos-methyl
183Monocrotophos (NH4)
Omethoate FragmOxamyl Aldicarb (NH4) Carbaryl (NH4) Phosmet (NH4) Triadimenol
Chlorpropham
I FragmKresoxim-methyl
70Spinosyn B or (NH4) Spinosad D (Fragm 558)
K (last of 3-4 peaks) Cypermethrin
Propargite II (Na)
AvermectinB1a
Cypermethrin III (Abamectin) (Na)
Butocarboxim Fludioxonil
Triadimenol II (Na) II (Na)
0
2 4 6 8 10 12 14 Time [min]
Intens. 41. +MS, 8.83-9.05min #523-536, found: Phosmet (C 11 H 12 N 1 O 4 P 1 S 2 , 316.9945, [ [M+H]+: 318.0018])
x106
373.1302
1.25
1.00
phosmet,
0.75 experimental,
0.50 full scan
0.25
100.0755 622.0290 767.2326
0.00
41. Phosmet(C H N O₄
P S , 316.9945, err[mDa]: -0.15, mSigma: 9.1)
8000 318.0018
6000
4000
theoretical
2000
0
100 200 300 400 500 600 700 800 900 m/z
Intens. 41. +MS, 8.83-9.05min #523-536, found: Phosmet (C 11 H 12 N 1 O 4 P 1 S 2 , 316.9945, [ [M+H]+: 318.0018])
8000 318.0020
6000
4000
2000
317.0917 319.0046
319.9987
321.2063
0
41. Phosmet(C H N O₄
P S , 316.9945, err[mDa]: -0.15, mSigma: 9.1)
8000 318.0018
6000
ID by mass
accuracy/isotope
4000
pattern
2000
319.0046
319.9991
0
317.0 317.5 318.0 318.5 319.0 319.5 320.0 320.5 321.0 m/z
High-resolution extracted ion chromatograms are used to pull components out of complex matrix backgrounds.
Interrogating the compound database, accurate-mass and isotopic fits are calculated and checked automatically,
along with retention times and, where necessary, fragment ions. This combination of data definitively confirms the
presence of target pesticides.
Result confirmation by parallel detection
of diagnostic ions
The impact of knowing compound behavior
Proof of identity, detection of adducts and fragments for unambiguous identifications
Intens.
x104 8
CVUA_2-5_1ppm_RA1_01_1072.d same sum formula,
8 almost coeluting,
Aldicarb no M + H detectable
Butocarboxim:
6 m/z 75: C3H7S
Butocarboxim
[M+NH4]
2
9
5
46 7
0 Aldicarb:
5.8 5.9 6.0 6.1 6.2 Time [min] m/z 89: C4H9S
Only a screening database with knowledge about fragmentation behaviour yields to correct identifications.
Intens.
CVUA_2-5_1ppm_RA1_01_1072.d
x10 5 Methiocarb Fragm 169
31
2.0
Fenobucarb
21
1.0 Methiocarb/Mercaptodimethur
30 Promecarb
36
Fenobucarb Fragm 152 Halofenozide Fragm 105
28 Promecarb Fragm 109
22 35
Fenobucarb Fragm 95
20
0.5 Halofenozide (Na)
Fenobucarb Fragm 151 25
23 Halofenozide
26 Fludioxonil Fragm 229
Fludioxonil (NH4)
Methiocarb (NH4) 32
34
Fenobucarb (NH4) 29
19 Fludioxonil
0.0 33
8.8 8.9 9.0 9.1 9.2 9.3 9.4 9.5 9.6 9.7 Time [min]
In this example, the identification of Fenobucarb is re-confirmed by the presence of 4 diagnostic ions (3 fragment ions, NH4-adduct).
Why Use bbCID Fragment Ions ?
1.0
azoxystrobin m/z 404
A zoxystrobin
XIC@ m/z403
44
0.8
0.4
0.0
x10 5 44. +bbCID MS, 25.0eV 372.0979 (0.5), 344.1030 (-1.4), : points : 3
• So, azoxystrobin is still
bbCID
373.1285
definitively identified
1.5
403.1395
• The database contains qualifier
ions for species which may require
1.0
extra information
0.5
344.1016 (-1.4), %I 0.23 372.0984 (0.5), %I 1.03
395.1112
• m/z 344.1016 and m/z 372.0984 are
389.1237
qualifier ions. Brackets represent
358.1051
345.0975
relative intensity range.
PesticideScreener Solution:
• Ultimate robustness of LC methods
• System-to-system reproducibility <0.1 min RT
Bruker Daltonics is continually improving its products and reserves the right
• Ultimate confidence in results
• Ready-to-go with methods and high quality database to change specifications without notice. © BDAL 09-2012, #703162
www.bruker.com
Dedicated to the Most
Challenging Applications
solariX, the next-generation line of
hybrid Qq-FTMS systems, is the culmination of
key technology enhancements that provide unique
capabilities in mass spectral
performance and versatility.
303.20967
of operation. Smaller data sets can 1.0
303.20630
303.19815
be selected for MS/MS acquisitions 2
303.19366
measurements for the MS precursor 0.5
Relative Intensity
modifications. For instance, the gentle 60
molecular dissociation chemistry
associated with ETD enables researchers
40
to elucidate subtle post-translational 1952.0 1952.5 1953.0 1953.5 1954.0 m/z
150
z+2 12
Abs. Int. * 10e
c
c 17
9
S
2672.274
DG(1336.64
c 23 T TK 2+) Q2945.372 A N
3388.647
z+1 30 (1738.26 2+)
K DTD
3804.671
z+1 41 (1573.72 3+)
E E K N I R
ETD
1359.634 z+1 1762.853 E c 26 (1473.19
H R 2+)
A NGD K D F V R E TD K M K
100 z 11 c 15 c 30 (1694.83 2+) 6887.161 z+1 33 (1902.84 2+)
2.5 2672.230 4560.176 6501.970 7622.467 8297.729 8225.732
2500.228 5071.396 5816.598 c 63
c 232+) 2787.308
c 41 c 59 z+1 66 z+1 72 c 74
c 21 (1250.62 c-1 46 3003.329z+1 51 3686.790
50 1701.767 c 24 (1394.16 2+)
z+1 14 3260.470 z+1 26 (1502.17 2+) c-1 33 (1843.90 2+)
6102.713
2.0 2615.212 4432.121 6591.904 7493.441 8169.608 8945.079
0 c 29 5254.344 z+1 54
c 22 c 40 z+1 58 z+1 65 z+1 71 c+1 80
z+1 45
2000 4000 6000 8000 10000 m/z
3217.465 5930.621 6230.777 7095.181 8556.803
2500.184 z+1 28 4387.911 5012.237 6492.839 8054.605
1.5 z+1 52 z+1 55 z+1 62 z+1 74
c 21 z+1 38 z+1 43 z+1 57 z+1 70
3159.425 5442.571 6967.171
1996.924 3686.728 4856.107 5987.628 6329.920 7953.541 8428.743
c 28 c 49 z+2 61
1.0 c 17 c-1 33 z+1 42 z+1 53 c 57 z+1 69 z+1 73
1 148
Phosphothreonine Phosphotyrosine
The combination of ECD and ETD performed on Calmodulin. As illustrated above, the expected phosphorylations
are not present and the lysine at position 116 is trimethylated.
Definitive molecular identification
With the solariX, high sensitivity, superior
quality, exact mass measurements are
only a mouse click away. Leveraging
sub-ppm levels of mass accuracy for both
intact precursor (MS) and product ions
(MS/MS) combined with accurate isotope
patterns, SmartFormula3D™ provides
definitive elemental composition and
molecular formula information. This level
of confidence is readily achieved without
internal standards or recalibration and the
high resolution data inherently mitigates
the complications resulting from other
chemical interferences.
325.19510 325.19845
C25H25+ C22H29S+
-0.1 ppm 0.0 ppm
325.19399
13C C H S+•
1 21 28
0.0 ppm
325.19064
13C C H +•
1 24 24
0.1 ppm
325.18253
C24H23N+•
0.1 ppm
325.20178
325.17805 325.21617
13C C H N+ C19H33S2+ C22H29O2+
1 23 22
0.1 ppm 0.1 ppm
0.1 ppm
“Q”
m/z = 313.1485
CASI boosts
sensitivity, enabling
the detection of drug
and metabolites at
“q” lower concentrations
Compass
MS/MS Operation
ESI
High mass
S/N > 10:1
(BSA 0,1mg/ml)
Bruker Daltonics is continually improving its products and reserves the right
Negative ions Functionality shown on Fibrinopeptide B
ESI Source Options
to change specifications without notice. © BDAL 12-2012, #264456
Electrospray (standard) (1 µl/min – 1 ml/min)
www.bruker.com
Best-In-Class Ion Trap Mass
Spectrometer for Routine Analysis
The amaZon SL entry-level system is based on Bruker‘s advanced amaZon ion trap series and
delivers best-in-class analytical performance, enhanced productivity and efficiency – all tailored to
your needs. Together with high sensitivity – thanks to proprietary Dual Ion Funnel technology – and
fast data acquisition at high scan speeds and mass resolution, this ion trap delivers uncompromised
LC/MSn data quality and flexibility at an affordable price.
Robustness
Intens. 150
[%] MS 3+ MS
349.52 100
MS and MS/MS spectra of a mixture of
mass possition/mDa
50
valled for ion trap instruments. A continuous
0
AutoMSn experiment over a period of 24 h -50
demonstrate the excellent robustness of 456.27 -100
24 hour continuous AutoMSn
the instrument with regard to an extremely 200 400 600 800 1000 m/z
-150
2 4 6 8 1012141618202224
stable mass position of the detected ions.
Intens.
TIC 263.03
MS
N O
O
O
N
246.06
Solid Samples O
246.05
non-specific water loss. Samples were kindly 120 140 160 180 200 220 240 260 m/z
771.5
609.4
[Hex-H2O-H]-
MS3
161.0
Dual Ion Mass-independent ion transfer and DE 195 23 859 C2; GB 2 302 985 B; US 5,572,035 A; GB 2 402 261 B;
Funnel Source sensitivity boost US 7,064,321 B2
High Transmission
Fast alternating polarity DE 195 15 271 C2; GB 2 300 295 B; US 5,736,740 A
Glass Capillary
Smart Charge Optimization of the charge density DE 43 26 549 C1; GB 2 280 781 B; US 5,559,325 A; DE 197 09 086
Control inside the ion trap without the need B4; GB 2 322 961 B; US 5,936,241 A; DE 100 27 545 C1; GB 2 364 821 B;
for a time-consuming pre-scan US 6,600,154 B1
Technical Specifications
Superior high-capacity trap Neutral loss scan
using the latest Dual Ion Funnel Multiple reaction monitoring
technology (MRM) using MS/MS and MS 3
Manual MSn up to n = 11 in all
Quadrupole ion trap based on
scan modes
innovative technical design for the
AutoMSn tree experiments with up
highest ion storage capacities
to 5 fragment ions per stage
Patented SmartICC™ for optimum ion
accumulation control without prescan
Data-dependent experiments
Mass-independent ion transmission
using Dual Ion Funnel technology All forms of common data-dependent
Standard-setting combination of mass experiments – including preferred mass
resolution, scan speed and m/z range lists for automated feedback experiments
in MS and MSn from MetaboliteTools – are supported.
Fast polarity switching for acquisition
of positive- and negative-ion spectra Source options
under LC conditions Choice of API sources
Reproducible spectra for high-confi- Advion Triversa NanoMate
dence MS/MS library searches using Online/Offline NanoElectrospray
SmartFrag™ Smart CE-MS coupling with
grounded needle
Scan speed and resolution (MS and MSn)
Software options
Scan Mode Res m/z u/sec
MetaboliteToolsTM software for
UltraScan™ 2+ ions 2,200 32,000
metabolite identification
Enhanced ACD Labs MS Manager for structural
4+ ions 2,200 8,100
Resolution interpretation and classification
Extended Compass OA/QC: Web-based,
4,000 27,000
Mass Range guided operation of LC/MS systems
for walk-up users
Scan modes Compass Security Pack™ for
Full scan MS, MS/MS and MSn for the regulated environments
most sensitive and reliable analysis of
Bruker Daltonics is continually improving its products and reserves the right
unknown compounds
Support of HPLC and sample inlet systems from the following vendors:
Bruker EASY-nLC (I &II), Dionex, Advion TriVersa NanoMate, Agilent, VWR/Hitachi,
Waters (incl. UPLC), Autosamplers from CTC
MASS SPECTROMETRY
Innovation with Integrity
A GAME CHANGER CREATES Key Applications
SUCH A DISRUPTIVE ADVANTAGE, IT Food testing requires fast results because of
the perishable nature of food. The EVOQ LC-TQ
delivers the fastest sample-to-report time using
TRANSFORMS THE ACCEPTED RULES PACERTM software.
Environmental analysis can be made cost-
effective by using on-line extraction (OLE) using the
space-saving AdvanceTM UHPLC with OLE.
Toxicology testing covers a wide range of
compounds in dificult matrices, which can be easily
ionized by VIP heated-ESI technology.
Pharmacokinetics in early drug discovery
requires high-sensitivity and exceptional robustness
The EVOQ triple quadrupole for liquid chromatography (LC-TQ) was to analyze hundreds of rat plasma samples on a
daily basis; a task easily achieved by the oriice/IQ
designed for a singular purpose – to reliably quantify thousands dual ion funnel design.
of real samples in the fastest sample-to-report time possible.
It delivers exceptional sensitivity, precision, accuracy, linearity,
and a wide dynamic range for your multiple reaction monitoring
(MRM) assays. Innovations in software and atmospheric pressure
ionization (API) technology make it a game changer for routine
high-sensitivity, quantitative analysis.
Key Benefits
Easily obtain ultra-high sensitivity for small molecules
and biomolecules as a result of the innovative interlaced-
quadrupole (IQ) dual ion funnel.
Confidently run matrix-rich samples on the robust oriice-
plate based API interface.
Efficiently analyze thermally labile molecules at high low
rates with the novel vacuum insulated probe (VIP) heated-
electrospray probe.
Save time using exception-based data-review software,
which makes it easier to highlight chromatograms that do
not meet preset method criteria.
Bruker Liquid Chromatography Solutions PRECISON, ACCURACY, SPEED,
The Advance UHPLC, HPLC, and OLE LC modules
By engineering the lowest possible system delay-volume, the Advance LC pump technology
LINEARITY, DYNAMIC RANGE
delivers superior ballistic gradient reproducibility at analytical low rates. This design-for-purpose
detail minimizes gradient delay and ensures highly precise retention times. The beneit
is shorter run-to-run cycle times with the reproducibility required for quantitative LC-MS/MS
analyses.
The OLE module extends the LC-TQ performance by enabling method-driven, on-line cleanup
or sample pre-concentration. The addition of a third pump in the same module and under full
software control reduces bench space requirement and simpliies setup, while giving you the
lexibility of rapid method development.
Sensitivity & Robustness
Your assay demands both because real samples
1 have more matrix than analyte. The EVOQ API
interface was engineered to deliver sensitivity
7 6
with uncompromised robustness; requirements
that set the standards for accuracy, precision, and
2 reproducibility.
8
4
Accuracy & Precision
5 Accuracy is the measure of the closeness of the
experimental value to the actual amount of the target
analyte in matrix. It is a measure of systematic bias.
1 Highly efficient VIP heated electrospray and APCI probes standard Precision is how well the experimental values agree with
each other and is a measure of random error.
2 Superior MRM sensitivity lens-free mass analyzer
3 Flat-tuning, tune-free, IQ dual ion funnel Together, these parameters measure the total
error of the assay, which in turn determines the limit of
4 Available in high performance QubeTM or ultra performance EliteTM models quantitation (LOQ). Since the MRM technique spends
5 UHPLC, HPLC, or OLE models with built-in column oven and degasser nearly all the time measuring the target analyte, the
result is an unbeatable LOQ in matrix; something you
6 eVol digital syringe standard infusion or loop injection experiments will routinely achieve on the EVOQ LC-TQ.
7 CTC Autosampler (industry workhorse) with reduced carryover capability
8 High-capacity, cooled-tray sample storage standard
THE SCIENCE OF SENSITIVITY
Delivering Heat Where It Belongs Tune-free Ion Optics
Simply set the nebulizer temperature and let VIP technology take An elegantly simple design that captures ions in the free-jet expansion
over the responsibility of ensuring precise heated the electrospray region and eficiently focuses them into a coherent ion beam to
ionization (ESI) for maximum sensitivity. VIP, a patent-pending heated deliver high sensitivity and robustness without the need for
ESI design that eficiently ionizes thermally labile molecules such as compound-speciic tuning.
N-oxides, glucuronides, or peptides during the high low rate heated
ESI process. This innovative technology provides an insulated low
path for the LC eluent shielding it from undesirable temperature Detector The IQ dual ion funnel system produces
luctuations occurring during the LC gradient. two key benefits:
This innovative detector design (US Patent 7855361)
eliminates the need for a conversion dynode which 1. Ease-of-use, due to the funnel-shaped, RF-only focusing ield design
allows for highly sensitive negative ion detection and which concentrates the ions into a coherent ion beam, eliminating the
fast switching capability. Lens-free Design need for compound-dependent tuning.
Covered by US Patent 6576897, this unique feature improves 2. Dramatically improves instrument up-time and eliminates the need
High-efficiency ceramic MRM sensitivity by signiicantly reducing ion scattering for frequent maintenance due to the spatial geometry of the IQ
heater technology, with losses in the quadrupoles before and after the collision cell. dual ion funnel which improves removal of background gases over
configured thermal profiling,
traditional stacked-lens funnels, reducing surface contamination.
delivers highest heat near
the probe tip.
Shape vacuumTM
insulation protects the LC
eluent from boiling before
nebulization.
Orifice Interface
The EVOQ was designed to be highly sensitive, robust, and simple to operate with low
Fluid path remains cool maintenance requirements. The oriice design ensures that the ions traverse the opening into the
before nebulization, vacuum chamber and come under the inluence of the IQ dual ion funnel system in the fastest
which is essential for time possible. A hot counter-current drying gas (cone gas) guards against stray droplets entering
protecting thermally fragile the vacuum chamber. The vital requirement for high-sensitivity is simply to minimize the time
compounds.
spent going from the spray chamber into the IQ dual ion funnel in the irst vacuum region. The
oriice design delivers this simple requirement most effectively.
PERFORMANCE- PACER SOFTWARE
DRIVEN SOFTWARE
Imagine an innovation in software that makes the human interaction with the process In a commercial testing laboratory, we understand time is critical and data
of data review more eficient by eliminating your data review bottleneck. How? By quality is paramount. PACER software and the EVOQ LC-TQ enable you to run
employing exception-based data review to instantly highlight intergrated peaks that more samples without the typical data analysis bottlenecks. Even better, you put
fail to meet the preset method criteria, the analyst can now focus on the problem a smile on the face of your QC reviewer. Now that’s a game changer!
areas. This Bruker software innovation instantly increases eficiency by eliminating
unproductive time spent on data review without compromising data quality.
Time
CHALLENGE THE
STATUS QUO
Demand a better solution for LC-MRM quantitative
analysis - experience the Bruker EVOQ LC-TQ solution.
For over 50 years Bruker has embodied innovation with integrity as demonstrated by its development of
world-class scientiic instruments. Today we are pioneering the migration of technology from research to
the commercial laboratory. The EVOQ Elite and the EVOQ Qube relect this design philosophy and solve
the hardware and software challenges faced by the quantitative analysis community.
Experience the game changing performance of the EVOQ LC-TQ; experience the innovation from Bruker.
Bruker Daltonics is continually improving its products and reserves the right
to change specifications without notice. © BDAL 08-2012. #703117
www.bruker.com