The Next Evolution in GC Triple Quadrupoles

Thermo Scientific TSQ Quantum XLS

Triple Quadrupole GC-MS/MS

Higher Sample Throughput – Higher Productivity

Detection Limits Beyond Limitations

Screening and Confirmation

Multiclass Multiresidue MRM Analysis

Part of Thermo Fisher Scientific

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The Next Evolution in Triple Quadrupole GC-MS/MS

Unrivaled Sensitivity in MRM Target Compound AnalysisUltimate Productivity for Multiclass Multiresidue QuantitationUnsurpassed Sample Throughput for Screening and Confirmation

Low fg Sensitivity

Increased Mass Resolution

Greatest Number of Target Compounds in One Run

Invaluable 24/7 Productivity

• Get incomparable low femtogram levelsensitivity for food safety, environmental,forensic and pharmaceutical applications

• Perform comprehensive analyses with avirtually unlimited number of target compounds in one GC run

• Gain enhanced sensitivity and performancewith short GC runs and optional backflushcleaning

• Realize higher overall productivity forlarge sample sets

Product Overview

The Thermo Scientific TSQ Quantum XLS is a high-performanceGC-MS/MS system that offers class-leading functionality andspecifications to match the most demanding quantitative needs.

The TSQ Quantum XLS™ is the next evolution in GC triple quadrupolemass spectrometry for GC/MS trace analysis. The system deliversindustry leading levels of sensitivity and selectivity. Highly SelectiveReaction Monitoring (H-SRM), enables increased analyte selectivityin complex matrices. The structure selective detection using fast andhighly resolving Multiple Reaction Monitoring (MRM) analysis isideally suited for large numbers of target compounds. The TSQQuantum XLS mass spectrometer features the new DuraBrite™ IRIStechnology for even higher sensitivity with greater stability for complexmatrix samples. Precision-machined long hyperbolic quadrupolesprovide higher mass resolution for unsurpassed target compoundselectivity despite sustained matrix interferences. The 90° angledcollision cell is unique in its class with high S/N peaks in almostbackground-free MRM chromatograms. The high gain ion detectorwith accelerating high voltage conversion dynode is set off-axis fornoise-free signal detection.

The Thermo Scientific TRACE GC Ultra provides shorter cycletimes with optional backflush cleaning for more matrix samples everyday. The Thermo Scientific TriPlus autosampler easily accommodateslarge overhead sample series, with an option to safely preservesample sets in cooled trays.

• Highest confidence quantitation in matrix samples with Structure SelectiveDetection (SSD)

• Proven DuraBrite high sensitivity ionsource with IRIS technology offers highoperation uptime, and superior sensitivityin 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 ventingof the vacuum system

• H-SRM detection mode provides increased mass resolution andhighest 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 thequadrupoles required

• Timed SRM – Screen a virtually unlimited number of compoundsat 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-SelectiveDetection (SSD)

• Simultaneous quantitation and structural confirmation – Quantitation-Enhanced Data-DependentMS/MS (QED)

• High-speed data acquisition – Virtually unlimitedmulti-component analysis in one run

• Elimination of false positives – Unique zero cross-talkangled collision cell

• Exceptional versatility – Convertible between GC andLC modes

• CI capacity is standard – Quick ion volume exchangechange from EI to CI providing an extremely flexible system to meet your mass spectrometry needs

DuraBrite IRIS Technology InsideDuraBrite 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 volumewithout venting the MS system. Designed for quick source maintenance, or tochange 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.

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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 withQuEChERS (EN15662), DIN S19 (EN12393),and other sample prep procedures includingPLE/ASE, LLE; also compliant with officialmethods established in China, Japan, andother 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 1613– 13C labelled internal standards– Total TEQ calculation using TargetQuan

Dioxins–Isotope Dilution Quantitation

TSQ Quantum XLS Solutions

The Pesticide Analyzer Reference providesa comprehensive description of QuEChERSsample preparation, instrument setup andanalytical methods, together with the MRMinformation for more than 700 pesticides,polychlorinated biphneyls, dioxins, andfurans. Also including a CD for quick methodupload, it is the fastest means of entry into routine pesticide analysis.

Drugs, Doping, and Life Sciences

• Workplace drug testing• Forensic investigation• Human sports doping • Horse doping• Toxicology • Metabolomics • Pharmakokinetics

Forensics: On-column injection of 8 fg of THC

Separation of Conazole PesticidesInert Ion Source: No breakdown with Fenitrothion at m/z 138 and 247

Curve 5 – 500 ppbQuantitation and ConfirmingIons at 5 ppbMRL = 20 ppb

Data showing Heptachlor spiked in tea at a concentration of 5 ppb with quantitation and confirming ion information

Environmental – Agriculture

• Soil – sediments• Water – drinking water, river and sea water• Plants – feedstuff• Air – pollutants

Diniconazol – separation of two isomers (at 35.43), excellent peak integrity, symmetrical peak form, no tailing

The Thermo Scientific TSQ Quantum XLSoffers improved analytical capabilities forhigher sensitivity with multi-componenttrace target compound analyses. Its highprecision analyzer delivers high S/N peaksfor target analytes even in complex matrixsamples.

The TSQ Quantum XLS is designed toaccommodate the challenges of ever lowerdetection limits in an ever increasing numberof matricies.

Developed for use in environmental,food, toxicology, pharmaceutical and clinicalresearch laboratories, the system allowsindustry leading levels of sensitivity, selec-tivity and simultaneous quantification andstructural confirmation through its innovativescan function, Quantitation-Enhanced Data-Dependent MS/MS (QED-MS/MS), at thelowest limits of quantitation.

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Unsurpassed sensitivity in a concentrated diesel matrix, high S/N detection for only 100 fg injected.

100 fg OFN in 1% Diesel Oil

Sensitivity for the Most Demanding Assays

Excellent sensitivity, vital for routine quantitation in every laboratory

The TSQ Quantum XLS is designed to operate with the ever decreasing detection limits in increasing numbers of matrices.

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).

Matrix

Matrix

Matrix

Matrix cut from chromatogram

Provides lower detection limits

Single Quad MS SIM Mode

Triple Quad MS SRM Mode

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 ionat low resolution with wide mass peaksabove unit width can result in chemical noiseinterferences from endogenous biologicaland environmental matrices.

Increased mass resolution using HighlySelective Reaction Monitoring (H-SRM) allowsthe user to select precursor ion selectionleading to increased analyte selectivity. Thiscan result in lower limits of detection andimproved quantitative precision and accuracyfor MRM trace analysis methods. Our high-precision hyperbolic quadrupoles are the

only quadrupoles on the market capable ofsuch mass selectivity while maintaining its high sensitivity with unsurpassed iontransmission.

H-SRM delivers class-leading selectivityand reduces false positives with rapid transmission at enhanced mass resolution.

Compliant with the most stringent reg-ulations: The EU Council Directive 96/23/ECgrants identification points (IP) to MS tech-niques. The TSQ Quantum XLS with 2 SRMsand 2 independent product ions earns 5 IP,the maximum score for any GC/MS method.

Identification Points Earned forGC/MS Techniques

IdentificationTechnique Number of ions Points

GC/MS n n

GC/MS/MS 1 precursor and 42 productions

GC/MS/MS 2 precursor, each 51 production

GC/HRMS n 2n

High Precision with High SelectivityRT RSD

2,3,7,8-TCDD 18.960 3.19%

2,3,7,8-TCDF 19.358 3.46%

1,2,3,7,8-PeCDF 21.296 1.18%

2,3,4,7,8-PeCDF 21.928 1.81%

1,2,3,7,8-PeCDD 22.169 2.39%

1,2,3,4,7,8-HxCDF 24.028 4.48%

1,2,3,6,7,8-HxCDF 24.120 5.07%

1,2,3,7,8,9-HxCDF 24.576 1.60%

1,2,3,4,7,8-HxCDD 24.738 4.06%

1,2,3,6,7,8-HxCDD 24.811 4.82%

1,2,3,7,8,9-HxCDD 25.003 2.66%

2,3,4,6,7,8-HxCDF 25.191 2.02%

1,2,3,4,6,7,8-HpCDF 26.460 1.78%

1,2,3,4,6,7,8-HpCDD 27.394 3.91%

1,2,3,4,7,8,9-HpCDF 27.748 2.68%

OCDD 29.883 3.24%

OCDF 29.979 2.17%

RSDs of PCDD/F product ion ratios at the 300 fg/µL level

Measure Each Compound at their Retention Time: Timed SRM

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Selected Reaction Monitoring (SRM) at the compound retention time is the primary technique used with a triplequadrupole mass spectrometer for high precision low RSD quantitative analysis.

Retention Time

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 forthe critical compounds. The TSQ Quantum XLS delivers robust compound response with greater stability forextended uptime and enhanced productivity.

The TRACE GC Ultra is designed to be easily configured with up totwo injectors and three detectors at any time, in addition to themass spectrometer. An ultra-stable, heating and cooling columnoven is capable of precision and reproducibility from near ambientup to 450 °C. TRACE GC Ultra offers a wide range of options tomeet your specific needs.

B.E.S.T. PTV Injector

The injector features very low thermal mass components and canachieve very fast heating and cooling rates. It ensures unprecedentedsample integrity by combining specifically designed inert liners witha long vaporizing chamber with reduced internal diameter. Furthermore,the B.E.S.T PTV can provide virtually discrimination free sampletransfer, even when high boiling samples are involved. Additionally,its compatibility with relatively dirty samples is enhanced whencombined with backflush option.

Large Volume Injection Options

Residue analysis often generates diluted extracts that require anadditional concentration step. This time consuming step can beavoided by injecting larger volumes. The injection of larger volumesthan just 1–2 µL is standard with the PTV injector, typically used inconjunction with a pre-column.

PTV Injector with Backflush Installed on the TRACE GC Ultra

Injection Backflush

Schematic flow diagram during the injection (left) and backflush (right) phase. While the analytes (red, green yellow peak) are transferredto the analytical column the slowly travelling high boilers (large grey peak) are still in the pre-column when the BKF is activated.

Injection and Transfer to Pre-column and Analytical Column

Pre-column Backflush during Analysis Run

Excellence in GC-MS/MS Begins with the GC

TRACE GC Ultra™ Multi Channel Gas Chromatograph

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AutomationAI/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 stringentneeds of increased productivity demanded by modern laboratories.

Easily select a proper parameters setting for a wide range ofinjection 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) usingConcurrent Solvent Recondensation (Large Volume Splitless),Large Volume On-column or PTV Large Volume operating modes

* SPME sold under license from Supelco®

Backflush Operation

The backflush (BKF) system uses an uncoated pre-column in front of the analytical column, connected via a T-piece to the backflushvalve in the carrier gas stream. During the regular injection thebackflush valve is off. The carrier gas flows in the normal directionto 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 theThermo Scientific Trace GC, the carrier gas flow is reversed. Thebackflush valve diverts the carrier gas directly to the T-connection toprovide a reverse flow through the pre-column into the injector and isvented through the split line cleaning the pre-column and insert liner.

The timing of switching the backflush valve is set such that allanalytes pass the pre-column to the analytical column. High boilersremain at the low oven temperatures in the pre-column and getbackflushed 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 isshown on the bottom chromatogram. Backflush cuts the high boilingmatrix efficiently from the chromatogram for high sample frequencyand high productivity.

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Maximize Productivity with Workflow-Oriented Software Options

Powerful software packages follow laboratory workflows for maximum productivity.

Lab Forms Software PackagesThe TSQ Quantum XLS system offers reliable,robust performance, ideally suited for GC-MSapplications from research to routine.Thermo Scientific Lab Forms applications –QuanLab Forms, EnviroLab Forms andToxLab Forms – complement routine GC-MSapplications and streamline your workflows.

Lab Forms Core CapabilitiesThe Lab Forms packages offer common user tools that simplify workflows and make getting from sample to result easierand more efficient.

Easy Navigation A dashboard guides users to their activities tomove quickly to the desired mode. Configureand customize the application, develop andcreate methods, or focus on daily productionto program batches, review data, and generate reports.

User Role CapabilitiesOptional user roles allow you to controlaccess to program settings and functionsbased on the user’s job types. This allowssimplified routine workflows and protectsmethods and data from inadvertent changes.

Optimized Data ReviewThe Lab Forms Data Review environment isdesigned to simplify reviewing complex datasets by incorporating easy-to-interpret flags.These flags can highlight data that falls outsideof your lab’s criteria, allowing you to easily spotand correct any issues, simply and easily.

Active ReportingWhere the Lab Forms software packages trulyredefine workflows is with a revolutionaryapproach to data review and reporting.Through powerful Smart Reporting, datareview and data reporting are dynamicallylinked in Active View, allowing for real-timechanges to the reports based on changes tothe data. Any changes to data are immediatelyreflected in the report– no reprocessing, no reanalyzing the data.Manual integrations are flagged for auditing purposes, so a record is kept of the changesmade to the batch.

Custom ReportsLab Forms software offers the ability to use custom reporting by creating specialMicrosoft® Excel® reports. These customreports can be automated at a batch orsample level, using the same processes as the integrated standard reports.

Simplified workflows for efficient navigation

Dynamically linked data review and reporting

QuanLab FormsQuanLab Forms comes with your TSQ QuantumXLS system, providing you with a simpletool for routine GC-MS data acquisition,analysis and reporting. A wide selection ofstandard, pre-configured reports allows youto easily report data in a style that suitsyour lab’s needs, plus customizable reportsallow you to tailor reports for your specificapplications. Generate reports in real timeduring sample acquisition, or review andreport data through the intuitive DataReview screen.

EnviroLab FormsFor today’s environmental labs, balancing highproductivity and sample throughput withstringent quality controls means that the datareview process is typically a bottleneck inmoving from sample to report. EnviroLabForms follows environmental laboratoryworkflows, with report options tailored to theneeds of environmental laboratories. Becausereviewing environmental data can be very

time-consuming, Smart Reporting streamlinesthis task. Simply double-click out of rangeor questionable results, review and fix ifpossible, and you’re done. Manual integrationsare flagged for auditing purposes, and reportsare ready to approve and print. Enhancedtools for tentatively identified compoundsare included in EnviroLab Forms.

ToxLab FormsToxLab Forms is designed for the clinicalresearch or forensic toxicology laboratory.ToxLab Forms streamlines the path fromunknown sample to known result in a mannerthat is secure, defensible, and aligned withyour lab’s specific needs. Enhancementscustomized for routine toxicology analysis arebuilt into the system. ToxLab Forms providesautomated spectral library searching for non-target peaks and reports semi-quantitativeresults for these unknown compounds.

ToxLab Forms Method View

EnviroLab Forms Data review

Xcalibur Data SystemThe Xcalibur data system provides confidentcontrol from method development to reportingusing the TSQ Quantum XLS system. Xcaliburis also used to provide tools for generatingand maintaining your own spectral libraries.It is compatible with commercial libraries suchas NIST, Wiley, Maurer-Pfleger-Weber andothers. Xcalibur provides complete controlof the TRACE GC Ultra and FOCUS GC, themass spectrometer and optional liquid orheadspace autosamplers.

Easy Interpretation ofMass Spectral DataMass Frontier software provides a suite ofoptions that allows the MS operator tointerpret mass spectral data. This optionalsoftware package assists the operator instructural identification, isotope patterndetermination, and spectral classifications.

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QuEChERSConvenient and effective approach for sample preparation across a range of applications

The TSQ Quantum XLS is compatible with QuEChERS (Quick,Easy,Cheap, Effective, Rugged and Safe) Method. QuEChERS is a disper-sive 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 whencompared with conventional solid phase extraction techniques.

The sample preparation procedure consists of the steps: theextraction, the clean-up, and solvent exchange. A solvent exchangeprovides a final solvent that is more amenable to GC injection andseparation injection.

Since the development and publication of the method in 2003,QuEChERS has been gaining significant popularity. It is the methodof choice for food analysis because it combines several steps andextends the range of pesticides recovered over older, more tediousextraction methods. The QuEChERS method has primarily been usedfor the analysis of fruits and vegetables. It has recently, however,been utilized as the sample preparation method of choice for a fullrange of food products such as honey, nut meats, soybeans, animalfeeds, foliage and other foods. The broad utility and ease of usemakes the method an excellent choice for residue analysis.

Thermo Scientific Chromatography Columns and Consumables

The right tools, separation after separation

Thermo Scientific chromatography columnsand consumables are designed to complementour innovative range of GC and GC-MS systems. Get the most out of the GC-MSsystem by pairing it with advanced, high-performance Thermo Scientific chromatog-raphy consumables. The wide range of consumables and accessories offer customersapplications-focused solutions in the environmental, food analysis, forensics/toxicology, petrochemical, pharmaceuticaland general analytical industries.