for water and beverage analysis

Thermo Scientific EQuan MAX Plus Systems Automated, high-throughput LC-MS solutions for water and beverage analysis Pesticides Pharmaceuticals Personal care products Endocrine disruptors Perfluorinated compounds

Ensure water and beverage safety Thermo Scientific EQuan MAX Plus systems provide turn-key liquid chromatography/mass spectrometry (LC/MS) solutions for the analysis of trace contaminants in environmental water, drinking water, and beverage samples. Exposure to pesticides, pharmaceuticals, personal care products, endocrine disruptors, and perfluorinated compounds in water is a significant health concern. As our understanding of their hazards increases, lower limits of detection (LODs) become critical. With the emergence of potential new contaminants, laboratories performing water and beverage analysis will be challenged to detect and quantify both targeted and nontargeted contaminants, and to do so faster than ever before. LC/MS is the technique of choice for screening, identification, and quantitation of these contaminants. However, traditional LC/MS methods require time-consuming and expensive sample preparation and method development prior to sample analysis. EQuan MAX Plus liquid chromatograph-mass spectrometer (LC-MS) systems automate many of the sample preparation steps, reducing preparation time and the possibility of human error. When combined with Thermo Scientific TraceFinder software, analytical methods and report formats can be selected from an extensive list of preconfigured options, making data acquisition, analysis, and reporting remarkably simple. UltiMate 3000 XRS Degasser TSQ Vantage Triple Stage Quadrupole MS Exactive Plus Benchtop Orbitrap MS UltiMate 3000 XRS HPLC Pump (3400SD) 2 An EQuan MAX Plus system can be equipped with a TSQ Series triple stage quadrupole mass spectrometer, Exactive Plus benchtop Orbitrap mass spectrometer or Q Exactive hybrid quadrupole-orbitrap mass spectrometer depending on your analytical requirements.

With the EQuan MAX system we are able to inject and enrich samples followed straightaway by LC-MS/MS analysis, significantly reducing analysis times and improving LODs. Dr. Sébastien Sauvé, Associate Professor, Environmental Chemistry, Université de Montréal Improve productivity Simplify assay development Perform nontargeted screening and quantitation Achieve targeted screening and quantitation UltiMate 3000 XRS Open Autosampler t The modular EQuan MAX Plus system can be configured in multiple ways single stack, multiple stacks, MS on the left, MS on the right to fit a wide range of laboratory requirements. Q Exactive Hybrid Quadrupole-Orbitrap MS UltiMate 3000 XRS Column Compartment UltiMate 3000 XRS UHPLC Pump (3400RS) 3

Improve laboratory productivity To increase laboratory productivity, EQuan MAX Plus LC-MS systems employ an innovative online sample preparation method. It uses column switching to automate sample preconcentration and analysis. Samples as large as 1 20 ml, or as low as 1 μl, can be directly injected, saving valuable time. Rather than spending days on offline sample preparation, samples are loaded onto an EQuan MAX Plus LC-MS system, concentrated, and analyzed, yielding results in a fraction of the time. In addition, online sample preparation reduces loss of sample, and analytical variability due to human error. EQuan MAX Plus LC-MS systems offer the flexibility of switching between conventional HPLC and very large injection volumes without the need to replumb between experiments. Switching of injection volumes can be automated for unattended or overnight operation, increasing system flexibility and productivity. The Thermo Scientific Dionex UltiMate 3000 XRS ultra-high-pressure liquid chromatograph (UHPLC) pump enables fast separations of complex mixtures over an expansive range of flow rates and pressures. 4 Catalog Number Column 25012-022130 20 x 2.1 mm, 12 μm Hypersil GOLD C18-like column for a wide variety of compounds 25205-022130 20 x 2.1 mm, 5 μm Hypersil GOLD C8 Offers similar selectivity to Hypersil GOLD, but with less retention 25312-022130 20 x 2.1 mm, 12 μm Hypersil GOLD aq Retention of polar compounds in highly aqueous samples 25412-022130 20 x 2.1 mm, 12 μm Hypersil GOLD PFP Can offer alternative selectivity in reverse-phase applications 25905-022130 20 x 2.1 mm, 5 μm Hypersil GOLD Phenyl Alternative selectivity for aromatic and moderately polar analytes 35007-022130 20 x 2.1 mm, 7 μm Hypercarb Exceptional retention of very polar compounds 73105-022130 20 x 2.1 mm, 5 μm BioBasic AX Weak anion exchange column 73205-022130 20 x 2.1 mm, 5 μm BioBasic SCX Strong cation exchange column

Simplify assay development EQuan MAX Plus LC-MS systems offer exceptional flexibility. Based on the demands of the analyses, a system can be equipped with one of the Thermo Scientific TSQ Series triple stage quadrupole mass spectrometers, an Orbitrap -based high-resolution, accurate-mass Thermo Scientific Exactive Plus mass spectrometer, or a Thermo Scientific Q Exactive hybrid quadrupole-orbitrap mass spectrometer. Regardless of the solution chosen, assay development is simple and fast. u Data review is simplified with TraceFinder software. Inspect sample and reference mass spectra, evaluate peak integration, review different curve fits, and observe ion ratio values easily and interactively. t TSQ Series Mass Spectrometers Selection of loading and analytical columns available with EQuan MAX Plus LC-MS systems TSQ Series triple stage quadrupole mass spectrometers provide the proven specificity and sensitivity of selected-reaction monitoring (SRM). EQuan MAX systems with TSQ Series mass spectrometers can be enhanced with TraceFinder software. The software allows the analyst to quickly and accurately develop high-throughput targeted screening and quantitative assays. TraceFinder software includes built-in methods for commonly found contaminants, and an exhaustive list of SRM transitions and their associated parameters. In addition, TraceFinder software provides preconfigured report formats. Exactive Plus Mass Spectrometer With the Exactive Plus instrument, highresolution accurate-mass (HR/AM) screening and quantitation methods are easy to set up because compound-dependent parameter optimization is unnecessary. With the ability to collect mass spectral data at resolutions from 17,500 to 140,000, you can easily discern matrix artifacts from analytes of interest. False positives and false negatives are significantly reduced. Q Exactive Mass Spectrometer The Q Exactive mass spectrometer combines the benefits of triple quadrupole and Orbitrap instruments for ultimate screening flexibility. Equally adept at targeted or untargeted screening and quantitation, its full-scan MS/MS capabilities, superior resolution, and mass accuracy ensure the highest possible confidence in every ID. TraceFinder software facilitates development and execution of Q Exactive-based methods. The exhaustive list of commonly found contaminants and their characteristic SRM transitions greatly simplifies the setup of targeted assays. 5

EQuan MAX Plus system with Exactive Plus LC-MS Nontargeted screening and quantitation u Without HR/AM, the three contaminant peaks shown here would not have been resolved from the analyte terbutylazine leading to a false negative or false positive depending on the intensity of the contaminants. Relative Abundance 100 90 80 70 60 50 40 30 Terbutylazine 230.11650 C9H17N5CI -0.19896 mmu Contaminants 20 10 0 230.10 230.11 230.12 230.13 230.14 230.15 230.16 230.17 230.18 230.19 230.20 230.21 230.22 230.23 230.24 230.25 m/z 0.15 Da Mass Range The high-resolution, accurate-mass capabilities of the Exactive Plus mass spectrometer make it ideally suited for nontargeted screening and quantitative experiments. The system provides fullscan data with mass resolution of up to 140,000 for structural confirmation, and mass accuracy to <1 ppm with internal calibration. Its high resolving power and mass accuracy enable accurate confirmation of all compounds, including isobaric pesticides. With the full-scan data from the Exactive Plus mass spectrometer, every scan collects all ions present in the sample. The data can be analyzed retrospectively for contaminants that may not have been included on an initial target list, without the need to rerun the samples. HR/AM facilitates both screening and quantitation of isobaric compounds that differ by only a few milli-mass units. Accurate mass measurements help eliminate false positives that result from interfering matrix components at masses close to those of the analytes of interest. HR/AM ensures positive identification of contaminants, increasing confidence in results. The instrument also provides excellent linearity over several orders of magnitude. EQuan MAX Method Time (Hours) Conventional Method Online Sample Preparation Preconcentrate ~30 minutes LC/MS Analyze, Detect, Confirm 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 Filter Condition Offline Sample Preparation Extract Wash Dry 6

EQuan MAX Plus system with TSQ Series LC-MS/MS Targeted screening and quantitation EQuan MAX Plus systems with TSQ Series triple stage quadrupole mass spectrometers provide the proven specificity and sensitivity of selected-reaction monitoring (SRM) for targeted screening and quantitative experiments. The TSQ Series mass spectrometers offer exclusive technology benefits such as high-resolution selected-reaction monitoring (H-SRM) and quantitation-enhanced data-dependent MS/MS (QED-MS/MS). Using the H-SRM scanning mode for sample analyses provides excellent analyte specificity and improved limits of quantitation (LOQs). Using QED-MS/MS, quantitation followed by simultaneous structural confirmation becomes routine, facilitating multi-residue screening of beverage and water samples. The TSQ Series triple stage quadrupole mass spectrometers also offer fast scan speeds and positive/negative polarity switching for enhanced productivity. sample scan library match 1) H-SRM followed by QED-MS/MS in the same chromatographic run provides simultaneous quantitation and structural confirmation in multi-residue screens. 2) Sample scan (top) and library match (bottom) showing confirmation of atrazine. 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 LC/MS Elute Analyze, Detect, Confirm 48 hours t EQuan MAX Plus systems can reduce analysis times from hours to minutes. 7

EQuan MAX Plus System with Q Exactive MS Targeted or nontargeted screening, quantitation, and confirmation An EQuan MAX Plus system equipped with the Q Exactive hybrid quadrupole-orbitrap mass spectrometer brings together the strengths of triple quadrupole and Orbitrap mass analyzers, providing simultaneous quantitative measurement and qualitative confirmation. High-resolution, accurate-mass MS data minimizes interference of isobaric matrix components for more accurate quantitation. At the same time, full-scan HR/AM MS/MS data ensures the highest possible confidence in every ID. A. B. Relative Abundance Relative Abundance Data-Dependent MS 2 100 80 60 40 20 0 100 80 60 40 20 0 100 90 80 70 60 50 40 30 20 10 0 Trimethoprim 60 80 100 120 140 160 180 200 220 240 260 280 300 320 m/z 87.0446 204.0436 High-resolution data-dependent MS 2 on the Q Exactive MS easily distinguished a compound and its heavy-isotope-labeled internal standard (A) that could not be distinguished by all-ion fragmentation (B). 294.1548 126.0767 233.1260 264.1078 81.0704 121.1012 248.1131 278.1234 95.0859 133.1012 67.0548 109.1014 149.0233 181.0855 204.1233 237.1621 291.1445 Trimethoprim 13 C 3 123.0666 67.0550 57.0707 95.0860 120.1824 154.8061 178.0857 All-Ion Fragmentation of Trimethoprim and Trimethoprim 13 C 3 230.1166 261.0974 245.1035 275.1129 219.0997 F: FTMS + p ESI d Full ms2 294.15@hcd35.00 [50.00-320.00] F: FTMS + p ESI d Full ms2 291.14@hcd35.00 [50.00-315.00] FTMS + p ESI Full ms2 275.00@hcd35.00 [80.00-450.00] 89.0602 124.0871136.0215 162.0314 118.0864 294.1548 149.0233165.0909 114.0647 199.1119 207.1491 285.1108 91.0547 219.1333 278.1238 177.1121 233.1261264.1081 303.1411 347.1484 371.2271 419.3151 186.0327 248.1132 327.2010 393.2088 433.3307 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 m/z www.thermofisher.com 2016 Thermo Fisher Scientific Inc. All rights reserved. All 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. Africa-Other +27 11 570 1840 Australia +61 3 9757 4300 Austria +43 1 333 50 34 0 Belgium +32 53 73 42 41 Canada +1 800 530 8447 China +86 10 8419 3588 Denmark +45 70 23 62 60 Europe-Other +43 1 333 50 34 0 Finland/Norway/Sweden +46 8 556 468 00 France +33 1 60 92 48 00 Germany +49 6103 408 1014 India +91 22 6742 9434 Italy +39 02 950 591 Japan +81 45 453 9100 Latin America +1 561 688 8700 Middle East +43 1 333 50 34 0 Netherlands +31 76 579 55 55 New Zealand +64 9 980 6700 Russia/CIS +43 1 333 50 34 0 South Africa +27 11 570 1840 Spain +34 914 845 965 Switzerland +41 61 716 77 00 UK +44 1442 233555 USA +1 800 532 4752 BR63692_E 09/16S