What Bottlenecks are Slowing Down Your Lab? Software Solutions for Environmental Testing Charles Yang Strategic Marketing Manager Environmental Testing & Food Safety

2 Sampling Sample preparation Sample Analysis Data Processing Workflow Bottlenecks Bottleneck Reporting Bottleneck

3 The challenges for an environmental laboratory: The Bottlenecks Speed up sample preparation. Online Preconcentration Online Extraction Method development Can software help here? Data processing and reporting

4 Thermo Scientific Targeted Analysis MS/MS Solutions Broad HPLC and UHPLC portfolio High-end Triple Quadropole Series MS/MS technology Optimal price/performance ratio TraceFinder™ software Tailored for routine labs Fast sample analysis and data review Easy to use

5 Chromatography Solutions Best-in-class portfolio Binary or quaternary gradients HPLC UHPLC Ion Chromatography Best-in-class ion chromatography systems: reagent free, continuous suppression

6 Triple Quadrupole MS/MS Technology Robust ion source technology with heated ESI Off-axis design to minimize neutral noise HyperQuad quadrupoles for more selectivity Timed SRMs for maximized dwell time and better S/N Automated SRM transition optimization and built-in SRM database

7 TSQ Portfolio TSQ Quantum Access MAX™TSQ Quantum Ultra™TSQ Vantage™ Best price-to-performance Best for most of the routine tasks (pesticides, mycotoxins, veterinary drugs…) Added value, better resolution Improved selectivity and sensitivity Universal tool for most of applications Best sensitivity, great selectivity Challenging applications such as analysis of crude extracts, metabolite identification

8 Timed-SRM Benefits Benefit: Maximize dwell time for each analyte – maximize S/N No problems with overlapping segments Ability to run 3000 SRMs in one run Easy setup

9 Customer Example

10 PPCPs Defined

11 PPCPs Defined

12 PPCPs in our Water

13 Pharmaceuticals & PCPs Method to Detect PPCPs

14 EQuan MAX System Benefits Launched at ASMS 2010 Triple Quadropoles and HRAM compatible Flexibility in injection modes and experiments (5uL-20,000uL) Fast-HPLC compatible uHPLC systems

15 Solutions: EQuan MAX System

16 Example Chromatograms

17 Example Chromatograms

18 Compounds with their LODs 1 mL injected Example LODs

19 Sampling Sample preparation Sample Analysis Data Processing Workflow Bottlenecks Bottleneck Reporting Bottleneck

20 Solution: TraceFinder Software for Data Processing Bottleneck: Streamlined method development, acquisition and data review software for Thermo Scientific LC/MS systems presented for Environmental and Food Safety markets Ideal for very routine analysis labs Compound Data Store with over 600 built-in compounds and contaminants (over 1500 total SRM transitions) for EFS Labs When a new method is released, registered users can download it and install it into the software Multi-level user accounts with different permissions for different user levels This basically means an easier and faster way for the EFS lab scientist to get the data that you will need – this will INCREASE LAB PRODUCTIVITY

21 TraceFinder Built-in Methods Nitrofurans Sulphonamides Anabolic steriods EPA536 – Triazines in drinking water Pesticides in water using the Thermo Scientific EQuan MAX system Glucocorticoid Japanese pesticides and herbicides Plus more to come through our TraceFinder download website, which will empower you to download new methods directly to your system New methods already uploaded: 250 pesticides, B-Agonists, Clenbuterol analysis plus many others which will be available soon.

22 Method Development Creation of methods from data files utilizing Method Forge - unique to TraceFinder software

23 Processing Method Compound name, SRM transition, retention time, ion ratio are completed automatically by Method Forge

24 Data Review

25 Data Review Green flag – Compound Found, above LOR (Limit of Reporting), all criteria passed. Orange flag – Compound close to LOD (Limit of Detection) or LOR, user may want to double check. Yellow flag – Compound not found. Red flag – Error, such as ion ratio, linearity, carryover, etc.

26 Reporting

27 Reporting 55 different templates Developed from worldwide customer and demo lab requests Export reports as PFD, Word, Excel, etc. Excel reports for report customization, based on customer’s requests from all geo-centers. Customers can further customize these reports based on their needs. Preview report before printing

28 TraceFinder Software Benefits TraceFinder is easy to run... Just 4 clicks to run routine analysis Creation of methods from data files utilizing Method Forge - unique to TraceFinder All of our methods will be available for our TraceFinder users to download free of charge. Easy to update CDS from multiple sources Data review unique in being both sample- and compound-centric No one else has Report View to see reports before they are printed Ability to have acceptance criteria usually done on LIMS systems – incorporated into the application

29 Application Compendium Thermo Scientific Compendium

30 Conclusion Utilized TSQ Quantum Ultra and EQuan Max online preconcentration to monitor PPCPs in water. Eliminated time consuming offline SPE. Data analysis was streamlined by using TraceFinder software

31 Acknowledgments Dr. Sébastien Sauvé Department of Chemistry University of Montreal

32 Thank You