Pesticide & Environmental Pollutant (P&EP) GC/MS/MS Analyzer 2.0

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1 Pesticide & Environmental Pollutant (P&EP) GC/MS/MS Analyzer 2.0 Get on the Analyzer FAST TRACK Identify Analytes in Complex Matrices Obtain Analytical Results on DAY ONE! -- based on the most comprehensive MRM database with extensive flexibility Dr. Moritz Hebestreit Produktspezialist GC/MS Agilent Technologies

2 New Agilent 5977 Series GC/MSD

3 7000B QQQ - Consistent, High Quality Results SIM versus MS/MS Comparison: Food Safety SIM - EIC (246) Apple MRM (2 transitions) S/N = 448 Cabbage Ginseng S/N = 241 S/N = 446 X X Orange Spinach S/N = 456 S/N = 260

4 No More Struggle for Developing Methods Sample ready Order Standard checkout Standard familiarization Method development Agilent develops method Order Order kit Application checkout Application familiarization Refine method Universal method to startup application, meeting most testing needs! Analyzers are flexible, can be adapted to customer needs

5 The Advantage of P&EP GC/MS/MS Analyzer 2.0 Retention Time Locking Allow simple system-to-system method transfer and easy data comparison between ECD, MSD, MS/MS Multimode inlet (MMI) Capillary Flow Technology (CFT) and backflush Comprehensive MS/MS MRM Database Large-volume injection enhances trace-level detection inlet adds flexibility by including standard, cold split/splitless, and solvent vent capabilities improve uptime - shorter analysis time, more consistent retention times and spectra, longer column life, and less frequent source cleaning Comprehensive and Flexible Optimized MRM database for compounds, ready to use and can be customized in minutes Pre-config. and factory setup / tested Factory setup and checked out on pesticide mixture ready to generate results on Day One

6 Why Use Backflush? Increased Productivity: Selectivity of MS/MS eliminates dirty matrix LOD requirements necessitates users inject larger sample volumes Many late eluting peaks are not chromatographically ideal and leave a residue throughout the column Heavy matrices contaminate the source faster performance is LOST! Backflush ensures the highest data quality with GC/MS/MS!

7 Backflush Configuration Split/Splitless or PTV Injection Port Pressure / Flow Controller Z ml/min very low flow; set against column backpressure 7890A GC Vent Z ml/min Capillary Flow Technology Device Y+Z ml/min 7000B GC MS/MS EI/CI mode Y ml/min Purged Union

8 Forward Flow Inlet EPC Aux EPC P 1 P 2 Split Vent Column 1 (or Retention Gap) PUU Column 2 (or Restrictor) MSD

9 Backflush Flow Inlet EPC Aux EPC P 1 P 2 Split Vent Column 1 (or Retention Gap) PUU Column 2 (or Restrictor) MSD

10 Postcolumn Backflush Example: Milk Extract It took additional 33 mins and column to 320 o C to remove these high boilers. Run stopped at 42 min and backflushed at 280 o C for 7 mins. Blank run after backflushing showing the column was clean min

11 Backflush Minimizes Carryover, Matrix Interference and RT Shifts and Decreases Maintenance Extracts of lettuce and pepper injected 3 times with a 2 min backflush and 3 times without backflush. The first and third injections are shown in each case. Without backflushing, the third injection (B) shows carryover, and retention time shifts compared to the first injection (A). MEZCUA ET AL.: JOURNAL OF AOAC INTERNATIONAL VOL. 92, NO. 6, 2009

12 The Most Comprehensive and Flexible MRM database Pesticides & Environmental Pollutants Pesticides Phthalates PBDEs PAHs PCB congeners Semi-volatile pollutants Deuterated compounds Average of 8 MRM transitions for each compound -- provides alternatives to minimize matrix interferences -- includes relative intensities for all transitions Retention times (RT) and indeces (RI) from three GC methods included -- Fast method: 20-min run, constant flow (CF), mid column backflush -- Full screening method: 40-min run, constant flow (CF), mid-column backflush -- Flexible method: 40-min run, constant pressure (CP), post column backflush We collected $70,000 worth of chemicals and made >3500 runs, so you don t have to!

13 The Flexibility: classifications; name; CAS number Each compound is classified in two categories Average and exact Molecular Weight

14 The Flexibility: 3 RTs and RIs Database has RTs (and RIs) to be used with three GC methods (CF-40min, CP-40min, and CF-20min)

15 The Flexibility: MassHunter format, relative intensity MassHunter Format for building acquisition methods The scale and relative intensities of transitions Screening methods can be built without measuring standards One Quant (Q0) and several Qualification ions for each compound

16 The Flexibility: Building MRM method in minutes Use the sorting function to quickly select a Quant (Q0) and a Qualifier ion to build a method! Follow the tutorial video to build a MRM acquisition method, based on your compound list, in 5 minutes.

17 Why Do You Need 8 Transitions for Each Compound? -- Example: Top Two Transitions of Methamidophos (10 pg) in Three Matrices Spinach Orange Pear 141 -> > 79 small matrix interference medium matrix interference (overlapping peak gives incorrect ion ratio) strong matrix interference (overlapping peak gives inaccurate quantitation result) Alternative Transitions Help Minimize Matrix Interferences and Improve Quantitation Result

18 Two Alternative Methamidophos Transitions Were Successfully Used to Minimize Matrix Interference Orange Pear 95 -> > 80 minimum matrix interference minimum matrix interference It is best to evaluate the chemical noise of an analyte s multiple transitions in different matrices to select the most appropriate transitions in a particular matrix. G9250AA Database s 8 MRM transitions for each analyte feature makes this task easy!

19 Case Study Background: A major Chinese independent lab needs a GC/TQ method to analyze 323 pesticides in vegetables Instrument Other; develop and optimize transitions from scratch Time for method development Chemicals needed Result 32 weeks hard work 323 chemical standards Not happy Agilent SP (former analyzer) 2 weeks, to add compds and making adjustment 34 compounds not in former list Happy! Agilent G3445A 411 (new analyzer) 5 minutes None Love it!!!

20 Agilent Provides the Most Comprehensive and Flexible MRM Database 1. Contains >8500 optimized MRMs for 1074 pesticides and environmental pollutants 2. Characteristics for each compound include CAS, MW, Molecular Formula, RT in CF and CP BF modes, etc. Relative intensity of each transition let you choose most suitable transitions let you build screening methods within minutes even without measuring standards 3. Tools and macros for quick method customization Requires <5 Min. to build acquisition method Tutorial videos on database CD for education and training

21 Analyzer Benefits 1. Reduces end user investment for method development and start-up 2. Deployment of cutting edge Agilent technology such as RTL, CFT and MRM Database increases productivity 3. Ongoing support for hardware PLUS application performance Agilent Analyzers offers laboratories the quickest return on their capital investment!

22 New Agilent 5977 Series GC/MSD The 5977 is the new Agilent GC/MSD platform and replaces the 5975C and 5975E systems

23 New Agilent 5977 Series GC/MSD What is new with 5977? Better Performance High Sensitive Extractor Ion Source Improved Agilent Vacuum Pump More Productivity Direct Communication 7890B 5977A Protect system Vent the system faster Power save (Sleep/Wake) MassHunter Software Data Acquisition (Method/Sequence) Data Analysis

24 New Agilent 5977 Series GC/MSD What is the same as 5975? Quality Reliability Proven core technology since 5973/5975 Inert Ion Source Heatable Gold Quartz Quadrupole Triple Axis Detector High Energy Diode Triple Channel EM Detector Productivity Software (MSD ChemStation Data Analysis)

25 5977A GC/MSD IDL Specificaiton IDL is represented in the concentration of the compound with the confidence level. For example, Agilent 7890B/5977A with Auto Liquid Sampler (ALS) has following specification at 99% confidence level with 8 repeated injections. Ion Source type High Vacuum pump type IDL of OFN by 8 replicates of ALS Extractor Source Turbo Pump 10fg Inert Source Turbo Pump Diffusion Pump 24fg 30fg

26 Expanded Capabilities: 7890B/5977A Improving the Industry Standards for GC/SQ Higher Ion Count Extractor EI source Increased ion count S/N > 1500:1 IDL < 10 fg (industry first) Improved thermal profile Better Vacuum by Agilent Pump New Agilent V304 Turbo TwisTorr Molecular Drag technology Improved pumping light gases H 2 (220 L/s); He (255 L/s) Agilent Floating Suspension Longer life Quiet operation Safety/Protection Vacuum failure Shut off gas (He or H2) Save Time & Energy Sequence Scheduler Standby post run Ready to run from standby Bake Mode as needed Factory backflush option Fast Vent capability DS42i rough pump standby power reduction Faster Scanning 20,000 u/s But never equal to the 7200 Q- TOF speed or scan sensitivity 7890B GC Features EMF, calculator, etc. All of 5975 s features also built in 5977, such as Gold Quad, SIM/Scan, Gain tuning, Triple-Axis Detector, Trace Ion Detection, Auto CI, etc..

27 Thank you for your attention! Questions???