What Bottlenecks are Slowing Down Your Lab Software

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

Workflow Bottlenecks Sampling Sample preparation Sample Analysis Data Processing 3% 27 % Sampling Sample preparation 5% Sample analysis Reporting 65% 2 Reporting

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 3

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

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

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

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

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 8

Customer Example 9

PPCPs Defined 10

PPCPs Defined 11

PPCPs in our Water 12

Method to Detect PPCPs Pharmaceuticals & PCPs 13

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

Solutions: EQuan MAX System 15

Example Chromatograms 16

Example Chromatograms 17

Example LODs Compounds with their LODs 1 m. L injected 18

Workflow Bottlenecks Sampling Sample preparation Sample Analysis Data Processing 3% 27 % Sampling Sample preparation 5% Sample analysis Reporting 65% 19 Reporting

Solution: Trace. Finder 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 20

Trace. Finder Built-in Methods • • Nitrofurans Sulphonamides Anabolic steriods EPA 536 – 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 Trace. Finder 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. 21

Method Development • Creation of methods from data files utilizing Method Forge - unique to Trace. Finder software 22

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

Data Review 24

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. 25

Reporting 26

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 27

Trace. Finder Software Benefits • Trace. Finder is easy to run. . . Just 4 clicks to run routine analysis • Creation of methods from data files utilizing Method Forge - unique to Trace. Finder • All of our methods will be available for our Trace. Finder 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 28

Application Compendium Thermo Scientific Compendium 29

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 Trace. Finder software 30

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

Thank You 32