Gas Chromatograph Mass Spectrometer GCMS-TQ8040 C146-E251

Gas Chromatograph Mass Spectrometer GCMS-TQ8040 C146-E251

with Smart Technologies Smart Productivity, Smart Operation, Smart Performance Finally, a triple quadrupole GCMS Smart enough for everyday use in your laboratory. GCMS-QP2010 Ultra GCMS-QP2010 SE GCMS-TQ8040 LCMS-8030 LCMS-8040 LCMS-8050 LCMS-2020 LCMS-IT-TOF imscope MALDI-7090

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 s 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. P. 6 to Smart Productivity 4

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. P. 8 to Smart Operation 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. P. 12 to Smart Performance Gas Chromatograph Mass Spectrometer 5

Typical Analysis MRM method 1 MRM method 2 Simultaneous Analysis MRM method Simultaneous Analysis MRM method method Simultaneous Analysis MRM method 40min 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. 7.0 6.0 5.0 4.0 3.0 ( 1,000,000) 5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 Simultaneous Analysis of 439 Pesticides Using UFMS and Smart MRM ( 1,000) 8.0 278.00>109.00 7.0 278.00>125.00 278.00>169.00 6.0 5.0 4.0 3.0 ( 10,000) 3.0 165.10>108.10 2.5 165.10>93.00 165.10>65.00 1.5 0.5 ( 1,000) 2.5 314.00>245.00 314.00>56.00 314.00>270 1.5 0.5 7.5 5.0 2.5 ( 100) 264.00>176.00 264.00>230 264.00>148.00 12.75 13.00 13.25 13.50 16.75 17.00 17.25 17.50 17.00 17.25 17.50 17.75 21.25 21.50 21.75 20 Fenthion %RSD = 4.16% Pyributicarb %RSD = 2.39% Iprodione %RSD = 4.54% Indoxacarb %RSD = 4.03% Mass chromatogram and %RSD (5 ppb) 6

120 min MRM method 3 40min 80min 120min Twin Line MS System Eliminates the Need to Vent the MS 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. Twin Line MS System 140>95.00 140>79.00 140>95.00 140>79.00 5.25 5.50 5.75 6.00 Column 1 (SH-Rxi-5Sil MS) 5.75 6.00 6.25 6.50 Column 2 (SH-Rtx-200 MS) Methamidophos in Ginger (10 ppb), Analyzed on Two Dissimilar Columns Using Smart MRM 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. SIM GC-MS (CID gas Off) MRM GC-MS/MS (CID gas On) 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. Gas Chromatograph Mass Spectrometer 7

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. MRM Optimization Tool 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. 8

Smart Database 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. Smart MRM 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 User Interface Gas Chromatograph Mass Spectrometer 9

GCMSsolution for Quick, Error Free Operation Automatic Adjustment of Compound Retention Time (AART) (Automatic Adjustment of Retention Time) Originally registered method information Customer's instrument C17 C18 C19 1700 1735 1800 Retention index C17 C18 C19 Identification window 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. 1700 1735 1800 Retention index 20 21 22 21.1 min 21.5 min (Calculated RT) (Originally registered RT) Automatic adjustment Retention index Analyte 1 n-alkane analysis 2 AART execution 3 Adjustment of retention times Updating compound retention times for low- to high-boiling compounds is simple and accurate. GCMS Browser Program Quantitation Browser The 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. Extensive Report Creation Features GCMSsolution 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. 10

Smart and Easy Maintenance Easy stop Reduces Maintenance Time Many applications require that the injection port undergoes maintenance is possible without venting the MS so downtime maintenance on a frequent basis. With the GCMS-TQ8040, is minimized. Maintenance start Conventional procedure Injection port cooling Vacuum stopped Maintenanceance Injection port heating Vacuum startup, Attainment of maximum vacuum level, Stabilization, 5 min 10 min 180 min Analysis Easy stop Injection port cooling Maintenance Injection port heating 10 min 15 min Analysis Time savings of 3 hours The Easy stop navigator assists in taking the appropriate steps. User Friendly 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. Ion Source The line of sight with a flat architecture makes the filament difficult to see. Pursuing a design with ease of maintenance in mind. Line of sight with this instrument MSNAVIGATOR Window Gas Chromatograph Mass Spectrometer 11

High-Sensitivity Ion Source 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) Shield Temperature Low High : Filament : Electric field : Heat rays Shield beta-endosulfan 240.90>205.90 238.90>203.90 Iprodione 314.10>244.90 314.10>56.10 23.25 23.50 23.75 24.00 26.50 26.75 27.00 27.25 MRM mass chromatogram (pesticides, 1 ppb) Sensitivity and Repeatability in Single GC/MS Mode 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. Q1 with post-rod achieves outstanding ion transfer efficiency 100.00 70 100.00 70 277.00 UFsweeper provides high ion transfer efficiency 12.75 13.00 13.25 13.50 %RSD = 1.76 % 12.75 13.00 13.25 13.50 %RSD = 1.44 % Thiobencarb 5 ppb Left: GCMS-QP2010 Ultra, Right: GCMS-TQ8040 (for RSD determination, n = 5) 12.25 12.50 12.75 13.00 79 93 63 125 150 169 247 214 277 260 0 50 100 150 200 250 300 350 125 O 277 260 79 S O 93 P O 63 150 169 214 247 O 0 50 100 150 200 250 300 350 N O Scan mass spectrum of Fenitrothion Mass spectrum registered in NIST library 12

OFF-AXIS Ion Optics 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. High-Efficiency Collision Cell UFsweeper 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). SIM 290.00 MRM 290.00>204.00 290.00>118.00 15.1 15.2 15.3 15.0 15.1 15.2 15.3 Analysis of residual pesticides (Isoprothiolane 1 ppb) High-Speed Scanning Control (Advanced Scanning Speed Protocol, ASSP ) 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. Scan 0.05 sec max 20,000 u/sec MRM 0.1 sec Scan (ASSP) Q1 Q3 max 800 MRM/sec Newly Patented Technology (ASSP) Propyzamide Diazinon Black: 1,111u/sec Red : 5,000 u/sec Blue : 10,000u/sec By switching rapidly between scan and MRM modes, data can be acquired using both modes in the same analysis. MRM SIM CID SIM Gas Chromatograph Mass Spectrometer 13

Smart Solutions using GCMS-TQ8040 Pesticide Quick-DB 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. 1,000,000 4.0 Scan Chromatogram 3.0 MRM Chromatogram 1 11.5 1 12.5 13.0 13.5 14.0 14.5 15.0 15.5 16.0 16.5 17.0 17.5 Analysis of Pesticides in a Cabbage Extract Using Scan/MRM MRM Mass Chromatogram and Scan Mass Spectra % 100 75 50 25 0 0 59 50 65 0 0.75 0.50 0.25 10,000 279.00>222.90 279.00>204.90 13.50 13.75 14.00 14.25 97 223 162 117 135 173 279 251 203 259 305 341 365 397 100 150 200 250 300 350 400 Quantitation Qualification 1.5 0.5 0.0 0 100 75 area ratio 100 50 25 65 62 0 0 50 The Calibration Curve and the Standard Mass Spectra Registered in Quick-DB (Dichlofenthion) 223 97 279 109 162 251 133 173 205 253 100 150 200 250 300 350 400 14

Metabolite Database 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. 3-Hydroxyisovaleric acid-2tms ( 100,000) 7.5 131.10>73.00 247.10>73.00 5.0 2.5 ( 1,000) 247.00 205.00 15.0 15.5 16.0 15.0 15.5 16.0 Aconitic acid-3tms ( 10,000) 1.5 285.10>147.10 375.10>147.10 0.5 5.0 2.5 ( 100) 375.00 285.00 3 32.5 33.0 0.0 3 32.5 33.0 Kynurenine-3TMS ( 10,000) 4.0 307.10>218.10 307.10>192.10 3.0 7.5 5.0 2.5 ( 100) 424.10 307.10 43.5 44.0 0.0 43.5 44.0 44.5 Comparison of MRM (Left) and Scan (Right) Mass Chromatogram for Metabolites in Standard Serum Gas Chromatograph Mass Spectrometer 15

Environmental Quick-DB 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. 100,000,000 1.25 0 0.75 0.50 0.25 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 Analysis Results of River water sample Ibuprofen 100,000 160 1.5 0.5 19.25 19.50 19.75 20.00 Concentration: 1596.3 ng/l Nonylphenol 1,000,000 6.0 135.00 5.0 4.0 3.0 21.25 21.50 21.75 20 Concentration: 9845.0 ng/l Quantitative Results Using the Database (Scan) PCB #52 (Tetra CB) 100 289.90>219.90 3.5 291.90>221.90 3.0 2.5 1.5 0.5 24.00 24.25 24.50 Concentration: 0.080 ng/l PCB #138 & PCB #129 (Hexa CB) 100 1.50 359.90>289.90 357.90>287.90 1.25 0 0.75 0.50 0.25 28.50 28.75 29.00 29.25 Concentration: 0.057 ng/l Quantitative Results for Targeted Compounds (MRM) 16

Forensic Quick-DB 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. Diazepam Desmethyldiazepam Flunitrazepam 1.5 0.5 10,000 256>221 283>248 10,000 1.5 242>207 242>152 0.5 10,000 5.0 312>266 286>240 4.0 3.0 22.25 22.50 22.75 23.00 23.00 23.25 23.50 23.75 MRM Chromatograms for Whole Blood Sample 23.75 24.00 24.25 24.50 10,000,000 0 1.75 1.50 1.25 0 0.75 0.50 0.25 5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 25.0 27.5 30.0 32.5 35.0 100 % 204 50 0 100 % 117 39 77 161 100 200 300 400 500 600 700 204 232 50 0 51 29 117 146 232 100 200 300 400 500 600 700 Mass Spectra of Phenobarbital in Blood Serum Sample (Top) and the Standard Spectra of the compound registered in the Database (Bottom) Gas Chromatograph Mass Spectrometer 17

Smart Options Chemical Ionization and Negative Chemical Ionization 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. Methyl erucate; C22:1 n-9 EI-GC-MS % 125 100 55.0 69.0 75 43.0 320.3 50 25 0 152.1 236.2 264.3 352.3 50 100 150 200 250 300 350 PCI-GC-MS/MS % 97.2 71.2 149.2 163.2 Precursor m/z 353.3 CE:9V 100 303.3 321.3 75 50 25 247.2 353.3 0 50 100 150 200 250 300 350 400 C22:1 n-9 1,000,000 7.5 5.0 2.5 1.50 1.25 0 0.75 0.50 0.25 320.30 264.00 C20:3 n-3 54.50 54.75 55.00 55.25 10,000 321.30>289.30 321.30>271.30 C20:3 n-3 55.75 56.00 56.25 56.50 DI-2010 Direct Sample Inlet Device 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. 632 N N N N Sn N N N N 124 316 101 188 248 0 100 200 300 400 500 600 Mass spectrum of Sn-phthalocyanine 120 Sn 118 632 Sn 630 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. 116 Sn 624 636 625 650 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. Separation column Backflush element Restrictor Heart-Cut System Backflush System Detector Splitting System Detector Switching System 18

Eco Friendly Eco-Friendly Design for Lower Running Costs in the Laboratory 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. Saving Power Consumption with an Ecology mode for Reduced Instrument Running Costs 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. Ecology mode screen PC Reduction by 36% Reduced Power Consumption in Analysis Standby Mode 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. Power Consumption (W) GC MS Standby in Normal (W) PC GC MS Standby in Ecology mode (W) 760 W 483 W Reduced Annual Power Consumption 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. Power Consumption (kwh) Reduction in power consumption by 26% Reduction in CO2 emissions by 1.1 tons Normal mode Ecology mode 7640 kwh 5640 kwh Reduces Power Consumption of Indoor Air Conditioning 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. This product is certified compliant with Shimadzu ECO-label standards. It consumes 36% less power than with the ecology mode switched OFF. Gas Chromatograph Mass Spectrometer 19

GCMS-TQ8040 imscope (page 3) may not be sold in your country. Please contact us to check the availability of imscope in your country. 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. www.shimadzu.com/an/ 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, 2014 Printed in Japan 3655-03409-50ANS