Thermo Scientific TSQ Quantum XLS Triple Quadrupole GC-MS/MS

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1 c h r o m a t o g r a p h y Thermo Scientific TSQ Quantum XLS Triple Quadrupole GC-MS/MS The Next Evolution in GC Triple Quadrupoles Higher Sample Throughput Higher Productivity Detection Limits Beyond Limitations Screening and Confirmation Multiclass Multiresidue MRM Analysis Part of Thermo Fisher Scientific

2 TSQ Quantum XLS Triple Quadrupole GC-MS/MS The Next Evolution in Triple Quadrupole GC-MS/MS Unrivaled Sensitivity in MRM Target Compound Analysis Ultimate Productivity for Multiclass Multiresidue Quantitation Unsurpassed Sample Throughput for Screening and Confirmation Low fg Sensitivity Increased Mass Resolution Greatest Number of Target Compounds in One Run Get incomparable low femtogram level sensitivity for food safety, environmental, forensic and pharmaceutical applications Perform comprehensive analyses with a virtually unlimited number of target compounds in one GC run Gain enhanced sensitivity and performance with short GC runs and optional backflush cleaning Realize higher overall productivity for large sample sets Invaluable 24/7 Productivity

3 Product Overview The Thermo Scientific TSQ Quantum XLS is a high-performance GC-MS/MS system that offers class-leading functionality and specifications to match the most demanding quantitative needs. The TSQ Quantum XLS is the next evolution in GC triple quadrupole mass spectrometry for GC/MS trace analysis. The system delivers industry leading levels of sensitivity and selectivity. Highly Selective Reaction Monitoring (H-SRM), enables increased analyte selectivity in complex matrices. The structure selective detection using fast and highly resolving Multiple Reaction Monitoring (MRM) analysis is ideally suited for large numbers of target compounds. The TSQ Quantum XLS mass spectrometer features the new DuraBrite IRIS technology for even higher sensitivity with greater stability for complex matrix samples. Precision-machined long hyperbolic quadrupoles provide higher mass resolution for unsurpassed target compound selectivity despite sustained matrix interferences. The 90 angled collision cell is unique in its class with high S/N peaks in almost background-free MRM chromatograms. The high gain ion detector with accelerating high voltage conversion dynode is set off-axis for noise-free signal detection. The Thermo Scientific TRACE GC Ultra provides shorter cycle times with optional backflush cleaning for more matrix samples every day. The Thermo Scientific TriPlus autosampler easily accommodates large overhead sample series, with an option to safely preserve sample sets in cooled trays. Highest confidence quantitation in matrix samples with Structure Selective Detection (SSD) Proven DuraBrite high sensitivity ion source with IRIS technology offers high operation uptime, and superior sensitivity in EI and CI modes High precision hyperbolic quadrupole technology for higher selectivity and sensitivity for most challenging samples Highly inert and exchangeable ion volumes, for quick maintenance without any venting of the vacuum system H-SRM detection mode provides increased mass resolution and highest analytical selectivity for target compounds in matrix samples H-SIM improves the selectivity of selected ion monitoring (SIM) methods used on single quads Maintenance-free design No cleaning or exchange of the quadrupoles required Timed SRM Screen a virtually unlimited number of compounds at the highest sensitivity without compromises Run more samples DuraBrite IRIS technology inside High precision results Lowest limits of quantitation Quick source maintenance without venting Exchangeable ion volumes Highest selectivity for heavy matrix samples H-SRM Unambiguous confirmation Structure-Selective Detection (SSD) Simultaneous quantitation and structural confirmation Quantitation-Enhanced Data-Dependent MS/MS (QED) High-speed data acquisition Virtually unlimited multi-component analysis in one run Elimination of false positives Unique zero cross-talk angled collision cell Exceptional versatility Convertible between GC and LC modes CI capacity is standard Quick ion volume exchange change from EI to CI providing an extremely flexible system to meet your mass spectrometry needs DuraBrite IRIS Technology Inside DuraBrite IRIS technology delivers higher sensitivity and extended maintenance cycles for more samples and more productivity. Experience the benefit of Exchangeable Ion Volumes: replace the ion volume without venting the MS system. Designed for quick source maintenance, or to change from EI to NCI or PCI operation and back for increased system uptime. The new DuraBrite IRIS source technology delivers double benefits: highly inert materials prevent sensitive compounds such as drugs and pesticides from degradation and matrix components cut by the pre-filter do not enter the quadrupole analyzer.

4 TSQ Quantum XLS Triple Quadrupole GC-MS/MS TSQ Quantum XLS Solutions Productivity Benefits Multi-residue screening quantitate hundreds of compounds in a single run with dwell time down to 1 ms Higher selectivity and more confidence with H-SRM for real life samples Simultaneous quantitation and structural confirmation with QED-MS/MS Eliminate false positives with Zero Cross-Talk Collision Cell 21 CFR Part 11 enabled software for regulatory compliance Highly economical notably advantageous for routine GC/MS trace analysis laboratories, enabling a higher number of samples to be processed Safe unattended 24/7 operation for increased sample throughput Ideal for Use in Industry For research grade routine Solid probe, GC, and LC inlets Governmental labs High analytical flexibility High economical value Contract labs High throughput High uptime High productivity Food Safety and Environmental analysis: The TSQ Quantum XLS is the perfect fit with QuEChERS (EN15662), DIN S19 (EN12393), and other sample prep procedures including PLE/ASE, LLE; also compliant with official methods established in China, Japan, and other locations. Food Safety and Pesticides Fruits Vegetables Fish Baby food Tea and herbs Beverages Drinking water Edible oils Dioxins Isotope dilution quantitation Method according EPA C labelled internal standards Total TEQ calculation using TargetQuan The Pesticide Analyzer Reference provides a comprehensive description of QuEChERS sample preparation, instrument setup and analytical methods, together with the MRM information for more than 700 pesticides, polychlorinated biphneyls, dioxins, and furans. Also including a CD for quick method upload, it is the fastest means of entry into routine pesticide analysis. Dioxins Isotope Dilution Quantitation

5 Inert Ion Source: No breakdown with Fenitrothion at m/z 138 and 247 Separation of Conazole Pesticides Diniconazol separation of two isomers (at 35.43), excellent peak integrity, symmetrical peak form, no tailing Environmental Agriculture Soil sediments Water drinking water, river and sea water Plants feedstuff Air pollutants Curve ppb Quantitation and Confirming Ions at 5 ppb MRL = 20 ppb Drugs, Doping, and Life Sciences Workplace drug testing Forensic investigation Human sports doping Horse doping Toxicology Metabolomics Pharmakokinetics Data showing Heptachlor spiked in tea at a concentration of 5 ppb with quantitation and confirming ion information Forensics: On-column injection of 8 fg of THC

6 TSQ Quantum XLS Triple Quadrupole GC-MS/MS Sensitivity for the Most Demanding Assays The Thermo Scientific TSQ Quantum XLS offers improved analytical capabilities for higher sensitivity with multi-component trace target compound analyses. Its high precision analyzer delivers high S/N peaks for target analytes even in complex matrix samples. The TSQ Quantum XLS is designed to accommodate the challenges of ever lower detection limits in an ever increasing number of matricies. Developed for use in environmental, food, toxicology, pharmaceutical and clinical research laboratories, the system allows industry leading levels of sensitivity, selectivity and simultaneous quantification and structural confirmation through its innovative scan function, Quantitation-Enhanced Data- Dependent MS/MS (QED-MS/MS), at the lowest limits of quantitation. Excellent sensitivity, vital for routine quantitation in every laboratory 100 fg OFN in 1% Diesel Oil Unsurpassed sensitivity in a concentrated diesel matrix, high S/N detection for only 100 fg injected. The TSQ Quantum XLS is designed to operate with the ever decreasing detection limits in increasing numbers of matrices. Single Quad MS SIM Mode Matrix Matrix Matrix Triple Quad MS SRM Mode Matrix cut from chromatogram Provides lower detection limits Analysis of Quinoxyfen in hops: single quadrupole mass spectrometers typically use the SIM mode for target compound quantitation with high sensitivity. Matrix extracts limit the selectivity with the interfering background on the target masses (top three mass chromatograms on three different SIM ions). Triple quadrupole mass spectrometers use MRM methods in the structure selective MS/MS target compound detection. Even intense matrix background is cut out completely for precise target compound quantitation with high S/N values (bottom two mass chromatograms on two independent SRM transitions).

7 Higher Mass Resolution for Superior Selectivity Get higher S/N and increased quantitative precision with high transmission at enhanced resolution in MRM trace analysis methods With SRM, selection of a precursor ion at low resolution with wide mass peaks above unit width can result in chemical noise interferences from endogenous biological and environmental matrices. Increased mass resolution using Highly Selective Reaction Monitoring (H-SRM) allows the user to select precursor ion selection leading to increased analyte selectivity. This can result in lower limits of detection and improved quantitative precision and accuracy for MRM trace analysis methods. Our highprecision hyperbolic quadrupoles are the only quadrupoles on the market capable of such mass selectivity while maintaining its high sensitivity with unsurpassed ion transmission. H-SRM delivers class-leading selectivity and reduces false positives with rapid transmission at enhanced mass resolution. Compliant with the most stringent regulations: The EU Council Directive 96/23/EC grants identification points (IP) to MS techniques. The TSQ Quantum XLS with 2 SRMs and 2 independent product ions earns 5 IP, the maximum score for any GC/MS method. Identification Points Earned for GC/MS Techniques Identification Technique Number of ions Points GC/MS n n GC/MS/MS 1 precursor and 4 2 productions GC/MS/MS 2 precursor, each 5 1 production GC/HRMS n 2n Measure Each Compound at their Retention Time: Timed SRM High Precision with High Selectivity RT RSD 2,3,7,8-TCDD % 2,3,7,8-TCDF % 1,2,3,7,8-PeCDF % 2,3,4,7,8-PeCDF % 1,2,3,7,8-PeCDD % 1,2,3,4,7,8-HxCDF % 1,2,3,6,7,8-HxCDF % 1,2,3,7,8,9-HxCDF % 1,2,3,4,7,8-HxCDD % 1,2,3,6,7,8-HxCDD % 1,2,3,7,8,9-HxCDD % 2,3,4,6,7,8-HxCDF % 1,2,3,4,6,7,8-HpCDF % 1,2,3,4,6,7,8-HpCDD % 1,2,3,4,7,8,9-HpCDF % OCDD % OCDF % RSDs of PCDD/F product ion ratios at the 300 fg/µl level Pesticide Retention Time Selected Reaction Monitoring (SRM) at the compound retention time is the primary technique used with a triple quadrupole mass spectrometer for high precision low RSD quantitative analysis. Even at lowest LOQs the TSQ Quantum XLS provides excellent quantitative results with high precision and low RSDs. Large sample series of QuEChERS pesticides QC and sample runs show excellent long term stability even for the critical compounds. The TSQ Quantum XLS delivers robust compound response with greater stability for extended uptime and enhanced productivity.

8 TSQ Quantum XLS Triple Quadrupole GC-MS/MS Excellence in GC-MS/MS Begins with the GC TRACE GC Ultra Multi Channel Gas Chromatograph The TRACE GC Ultra is designed to be easily configured with up to two injectors and three detectors at any time, in addition to the mass spectrometer. An ultra-stable, heating and cooling column oven is capable of precision and reproducibility from near ambient up to 450 C. TRACE GC Ultra offers a wide range of options to meet your specific needs. B.E.S.T. PTV Injector The injector features very low thermal mass components and can achieve very fast heating and cooling rates. It ensures unprecedented sample integrity by combining specifically designed inert liners with a long vaporizing chamber with reduced internal diameter. Furthermore, the B.E.S.T PTV can provide virtually discrimination free sample transfer, even when high boiling samples are involved. Additionally, its compatibility with relatively dirty samples is enhanced when combined with backflush option. Large Volume Injection Options Residue analysis often generates diluted extracts that require an additional concentration step. This time consuming step can be avoided by injecting larger volumes. The injection of larger volumes than just 1 2 µl is standard with the PTV injector, typically used in conjunction with a pre-column. PTV Injector with Backflush Installed on the TRACE GC Ultra Injection and Transfer to Pre-column and Analytical Column Injection Pre-column Backflush during Analysis Run Backflush Schematic flow diagram during the injection (left) and backflush (right) phase. While the analytes (red, green yellow peak) are transferred to the analytical column the slowly travelling high boilers (large grey peak) are still in the pre-column when the BKF is activated.

9 Backflush Operation The backflush (BKF) system uses an uncoated pre-column in front of the analytical column, connected via a T-piece to the backflush valve in the carrier gas stream. During the regular injection the backflush valve is off. The carrier gas flows in the normal direction to the GC injector. A small flow provided by the restrictor grants sufficient purging of the T-connection. When the backflush valve is activated after injection by the Thermo Scientific Trace GC, the carrier gas flow is reversed. The backflush valve diverts the carrier gas directly to the T-connection to provide a reverse flow through the pre-column into the injector and is vented through the split line cleaning the pre-column and insert liner. The timing of switching the backflush valve is set such that all analytes pass the pre-column to the analytical column. High boilers remain at the low oven temperatures in the pre-column and get backflushed through the split exit of the injector. The Analytical Benefits are Multiple Chromatographic integrity maintained even with difficult matrix samples Time saved by avoiding additional bake-out phases of the column Shorter analysis times; the heavy components are backflushed from the pre-column Increased column lifetime no cuts from beginning, no high bake-out temperatures, and bake-out times Compatible with PTV injector upgradable at any time Easy maintenance of the injection system with backflush activated Pre-column maintenance without venting the MS detector Chromatogram of a QuEChERS extract from pear without backflush (top), and with backflush operation (middle). A pesticide standard is shown on the bottom chromatogram. Backflush cuts the high boiling matrix efficiently from the chromatogram for high sample frequency and high productivity. Automation AI/AS 3000 Series II Easy setup, multi-instrument use, and simple self-alignment AI 3000 II with sample capacity of 8 2 µl vials, and switchable sample trays for routine injections AS 3000 II with additional exchangeable 105-vial sample tray increases productivity Four rinsing stations virtually eliminate carryover and cross-contamination TriPlus AS, HS, SPME* The TriPlus Autosampler is a versatile robotic x,y,z-sampler for liquids, headspace and SPME operation designed to fulfill the stringent needs of increased productivity demanded by modern laboratories. Easily select a proper parameters setting for a wide range of injection techniques: Conventional sample introduction (1 5 µl) throughout either hot needle (thermospray) or cold needle (liquid band formation) techniques; Large Sample Volume introduction (up to a 500 µl syringe) using Concurrent Solvent Recondensation (Large Volume Splitless), Large Volume On-column or PTV Large Volume operating modes * SPME sold under license from Supelco

10 TSQ Quantum XLS Triple Quadrupole GC-MS/MS Maximize Productivity with Workflow-Oriented Software Options Lab Forms Software Packages The TSQ Quantum XLS system offers reliable, robust performance, ideally suited for GC-MS applications from research to routine. Thermo Scientific Lab Forms applications QuanLab Forms, EnviroLab Forms and ToxLab Forms complement routine GC-MS applications and streamline your workflows. Lab Forms Core Capabilities The Lab Forms packages offer common user tools that simplify workflows and make getting from sample to result easier and more efficient. Easy Navigation A dashboard guides users to their activities to move quickly to the desired mode. Configure and customize the application, develop and create methods, or focus on daily production to program batches, review data, and generate reports. Powerful software packages follow laboratory workflows for maximum productivity. Active Reporting Where the Lab Forms software packages truly redefine workflows is with a revolutionary approach to data review and reporting. Through powerful Smart Reporting, data review and data reporting are dynamically linked in Active View, allowing for real-time changes to the reports based on changes to the data. Any changes to data are immediately reflected in the report no reprocessing, no reanalyzing the data. Manual integrations are flagged for auditing purposes, so a record is kept of the changes made to the batch. Custom Reports Lab Forms software offers the ability to use custom reporting by creating special Microsoft Excel reports. These custom reports can be automated at a batch or sample level, using the same processes as the integrated standard reports. User Role Capabilities Optional user roles allow you to control access to program settings and functions based on the user s job types. This allows simplified routine workflows and protects methods and data from inadvertent changes. Simplified workflows for efficient navigation Dynamically linked data review and reporting Optimized Data Review The Lab Forms Data Review environment is designed to simplify reviewing complex data sets by incorporating easy-to-interpret flags. These flags can highlight data that falls outside of your lab s criteria, allowing you to easily spot and correct any issues, simply and easily.

11 QuanLab Forms QuanLab Forms comes with your TSQ Quantum XLS system, providing you with a simple tool for routine GC-MS data acquisition, analysis and reporting. A wide selection of standard, pre-configured reports allows you to easily report data in a style that suits your lab s needs, plus customizable reports allow you to tailor reports for your specific applications. Generate reports in real time during sample acquisition, or review and report data through the intuitive Data Review screen. EnviroLab Forms For today s environmental labs, balancing high productivity and sample throughput with stringent quality controls means that the data review process is typically a bottleneck in moving from sample to report. EnviroLab Forms follows environmental laboratory workflows, with report options tailored to the needs of environmental laboratories. Because reviewing environmental data can be very time-consuming, Smart Reporting streamlines this task. Simply double-click out of range or questionable results, review and fix if possible, and you re done. Manual integrations are flagged for auditing purposes, and reports are ready to approve and print. Enhanced tools for tentatively identified compounds are included in EnviroLab Forms. ToxLab Forms ToxLab Forms is designed for the clinical research or forensic toxicology laboratory. ToxLab Forms streamlines the path from unknown sample to known result in a manner that is secure, defensible, and aligned with your lab s specific needs. Enhancements customized for routine toxicology analysis are built into the system. ToxLab Forms provides automated spectral library searching for nontarget peaks and reports semi-quantitative results for these unknown compounds. ToxLab Forms Method View EnviroLab Forms Data review Xcalibur Data System The Xcalibur data system provides confident control from method development to reporting using the TSQ Quantum XLS system. Xcalibur is also used to provide tools for generating and maintaining your own spectral libraries. It is compatible with commercial libraries such as NIST, Wiley, Maurer-Pfleger-Weber and others. Xcalibur provides complete control of the TRACE GC Ultra and FOCUS GC, the mass spectrometer and optional liquid or headspace autosamplers. Easy Interpretation of Mass Spectral Data Mass Frontier software provides a suite of options that allows the MS operator to interpret mass spectral data. This optional software package assists the operator in structural identification, isotope pattern determination, and spectral classifications.

12 QuEChERS Convenient and effective approach for sample preparation across a range of applications Thermo Scientific Chromatography Columns and Consumables The right tools, separation after separation Thermo Scientific chromatography columns and consumables are designed to complement our innovative range of GC and GC-MS systems. Get the most out of the GC-MS system by pairing it with advanced, highperformance Thermo Scientific chromatography consumables. The wide range of consumables and accessories offer customers applications-focused solutions in the environmental, food analysis, forensics/ toxicology, petrochemical, pharmaceutical and general analytical industries. The TSQ Quantum XLS is compatible with QuEChERS (Quick,Easy, Cheap, Effective, Rugged and Safe) Method. QuEChERS is a dispersive Solid Phase Extraction (SPE) technique for a broad set of applications, including pesticides in food. The advantages of this methodology are speed, ease of execution, minimal solvent requirement and cost to perform when compared with conventional solid phase extraction techniques. The sample preparation procedure consists of the steps: the extraction, the clean-up, and solvent exchange. A solvent exchange provides a final solvent that is more amenable to GC injection and separation injection. Since the development and publication of the method in 2003, QuEChERS has been gaining significant popularity. It is the method of choice for food analysis because it combines several steps and extends the range of pesticides recovered over older, more tedious extraction methods. The QuEChERS method has primarily been used for the analysis of fruits and vegetables. It has recently, however, been utilized as the sample preparation method of choice for a full range of food products such as honey, nut meats, soybeans, animal feeds, foliage and other foods. The broad utility and ease of use makes the method an excellent choice for residue analysis. In addition to these offices, Thermo Fisher Scientific maintains a network of representative organizations throughout the world. Africa-Other [email protected] Australia [email protected] Austria [email protected] Belgium [email protected] Canada [email protected] China [email protected] Denmark [email protected] Europe-Other [email protected] Finland / Norway / Sweden [email protected] France [email protected] Germany [email protected] India [email protected] Italy [email protected] Japan [email protected] Latin America [email protected] Middle East [email protected] Netherlands [email protected] South Africa [email protected] Spain [email protected] Switzerland [email protected] UK [email protected] USA [email protected] Thermo Fisher Scientific, Austin, TX USA is ISO Certified Thermo Fisher Scientific Inc. All rights reserved. Microsoft and Excel are registered trademarks of Microsoft Corporation. Supelco is a registered trademark of Sigma-Aldrich Inc. All other trademarks are the property of Thermo Fisher Scientific Inc. and its subsidiaries. Specifications, terms and pricing are subject to change. Not all products are available in all countries. Please consult your local sales representative for details. BR51882_E_04/10M