TargetQuan 3 Software. Leading the way in regulatory. POPs quantification. Bullet Bullet Bullet

Transcription

1 TargetQuan 3 Software Leading the way in regulatory POPs quantification Bullet Bullet Bullet

2 Leading the way in regulatory POPs quantification Analyse Samples Open Sequence Process Sequence Analyse Samples (Xcalibur) Open Sequence (TargetQuan) Process Sequence The quantification of persistent organic pollutants (POPs) comes with very specific requirements. The persistent, chronic toxicity of these compounds means extremely low-level determinations are carried out using highly accurate and precise isotope dilution techniques. Demanded by an extensive regulatory framework, and the need to build up a picture of the overall toxicity of a sample; quantitative calculations can quickly become demanding and complex. This impacts laboratory efficiency and time to result. Thermo Scientific TargetQuan 3 software is uniquely tailored for a workflow-orientated POPs quantification. This software package is designed specifically to serve laboratories charged with performing routine quantification of POPs in a regulated environment. With TargetQuan 3, comprehensive processing of MS, MS/MS and HRMS data is possible on a single software platform for the seamless quantification of: Dioxins and furans Polychorinated biphenyls Brominated flame retardants Polybrominated diphenyl ethers Polychlorinated napthalenes Other target compounds requiring isotope dilution techniques Simple customizable tabbed layouts

3 Review Report Save Review Report Save (Single Archive File) Response curve TargetQuan 3 sequence tab with audit trail Import sequences from Xcalibur Process sequences with a single button

4 Original (.raw) Xcalibur Sequence (.sld) Quantification Method (.quan) Screen Layout File Integrated (seq.quan) Report Layout File Results Reports (.pdf) Export Spreadsheet Layout File TargetQuan 3 Sequence (.qseq) Results Exports (Excel, ASCII,.TXT) Audit Log File Calibration Curve (.resp) TargetQuan 3 Features Single locked file (.qseq) can be easily shared or archived, and contains all items for data processing, review and reporting. Import sequences from Xcalibur Run entire sequences against complex calibration curves Automatically quantify and report or export data; ASCII, pdf, Excel Display, adjust and append to calibration file (.resp) within the TargetQuan window Automatic calculation of ion ratios from calibration standards Importing and appending additional files to processed sequences Response factor for one compound can applied to another; allowing semiquantification of compounds not present in calibration standards Automatic adjustment of retention times. View QA/QC mass traces; including lockmass and/or interference channels. Log file records operation and user modification, for simplified audit control. Automated calculation or flagging for easy QC management and data review. Confirmatory ion ratios out of tolerance Signal-to-noise ratio below threshold Retention time out of tolerance Coefficient of determination (r 2 ) below threshold Calibration %RSD above threshold Recovery % out of tolerance Concentration below LOD/LOQ User definable TEF factors for future-proof TEQ calculation of Total and sub-total TEQ EU Lowerbound, Mediumbound and Upperbound concentrations calculated using either LOD or LOQ contributions satisfying EU, EPA and JIS reporting protocols And more...

5 Streamline your POPs quantification Review Report Save Simplified workflow for efficient data processing Import Xcalibur sequences for batch processing and automatically integrate peaks, generate response curves and quantify data Process entire batches through new sequence tab function processing built for POPs Quantification, based on relative response factors (RRF) Optional quantification, based on the average response according to EPA 1613 (PCDD/F) or EPA 1668 (PCB) Incorporation of Toxic Equalivence Factors (TEFs) to automatically calculate Toxic Equivalent Quotient (TEQ) Flagging of out-of-range ion ratios Totals calculations Lower, medium, and upper bound value calculations Versatility for maximum productivity Fully customizable screen layouts Create views of your data the way you want Tabbed views for simple navigation Report templates Define printed or electronic reports including options to print calculated values and chromatograms Custom calculations In addition to the standard calculations required for POPs data analysis, TargetQuan 3 provides the flexibility to fully customize for calculations the way you want them Platform independence for a high throughput laboratory Release more processing capability into your lab on a single platform to handle POPs data coming from High Resolution Mass Spectrometry (HRMS) or Triple Quadrupole Mass Spectrometry systems Regulatory conformity for reporting confidence Target quantification is achieved with conformity to international protocols such as: US EPA 1613b, 1668b, 1614, 8290, Method 23 Japan JIS K 0311/0312 Europe EN 1948 Commission Directive 2002/70/EC Council Directive 96/23/EC

6 POPs Center of Excellence for Food, Feed and Environmental Analysis Dedicated Resources To demonstrate our commitment to supporting laboratories charged with the task of researching and monitoring POPs, we have established a POPs Center of Excellence. This direct resource for our customers and associates is staffed with experts in POPs analysis. Our commitment ensures high productivity, added- value-solutions for some of the most challenging POPs determinations. Located in Bremen, Germany, the POPs Center of Excellence is chartered to support our international customers and associates, addressing a wide range of requirements. Reference for POPs analysis Point for access to POPs methodology on Thermo Scientific products Resource for collaborative projects on the latest instrumentation Knowledge hub for Thermo Scientific product users who are working in POPs analysis Partner to industrial and governmental laboratories; improving quality and efficiency in our world-wide POPs monitoring capacity For more info about the integrated POPs workflow visit Thermo Fisher Scientific Inc. All rights reserved. Excel is a trademark of Microsoft Corporation. ISO is a trademark of the International Standards Organization. All other 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. Thermo Fisher Scientific (Bremen) GmbH Management System Registered to ISO 9001:2008 BR30241_E 03/12G Africa-Other Australia Austria Belgium Canada China Denmark Europe-Other Finland/Norway/Sweden France Germany India Italy Japan Latin America Middle East Netherlands New Zealand Russia/CIS South Africa Spain Switzerland UK USA