Improved Ease-of-Use and Robustness for Food and Water Testing by Mass Spectrometry

Improved Ease-of-Use and Robustness for Food and Water Testing by Mass SpectrometryAccelerate and simplify the MS data management workflowKey benefits¦¦ Makes LC/MS/MS easy to use for all skill levels¦¦ Automatically create analysis methods¦¦ Rapidly identify non-compliant samples¦¦ Track the performance of methodsINC REASE WORKFLOW EFFIC IENCY Over the last decade tandem quadrupole mass spectrometry has been adopted as the technique of choice within food and water testing laboratories performing routine analyses - this is primarily due to the superior sensitivity and selectivity that can achieved even in complex matrices. Scientists in these laboratories routinely analyze large numbers of samples and generate huge volumes of data. They count on reliable and easy-to-use LC/MS/MS methods, instruments, and software that deliver the sensitivity and throughput they require to quickly produce accurate data and results.Waters provides a comprehensive suite of robust, easy-to-use software tools that simplify the acquisition, processing, and interpretation of mass spectrometry data. With IntelliStart,™ Quanpedia,™ QCMonitor,™ TargetLynx,™ and TrendPlot,™ scientists can streamline the data management workflow and make better decisions – faster. QC MONI T ORQU A NP E DI AP R E PA R EA N A LY Z EIN T E R P R E TDE C IDEIN T E L L I S TA R TTA R G E T LY N XT R E NDP L O T2AUTOMAT E SYST EM SET-UPIntelliStartWaters® IntelliStart simplifies your system setup with a user-friendly interface that automates routine tasks and reduces the burden of complicated operation. IntelliStart ensures that all levels of scientists can operate the instrument enabling them to quickly and confidently generate reproducible UPLC®/MS/MS data of the highest quality.IntelliStart sets up your instrument automatically. It calibrates the instrument, sets resolution, and provides optimum tuning for your samples.IntelliStart continually monitors your LC/MS system, providing routine performance checks and resolving any system alerts.IntelliStart’s user-friendly interface automates routine tasks and allows scientists of all levels to quickly and confidently generate reproducible UPLC/MS/MS data.IntelliStart¦¦ Automatically generates MRM methods using integrated fluidics¦¦ Autotunes and calibrates the system, optimizing it for your analysis¦¦ Detects and displays system alerts¦¦ Reports on your LC/MS system performance3ACC ELERAT E MET HOD C REAT IONCompound-centric databaseQuanpedia is a ‘one-stop’ central database for quantitative and qualitative LC/MS method information. Quanpedia employs a compound-centric database that holds all UPLC chromatographic, MS/MS acquisition, and TargetLynx quantification information in one place. Quanpedia is supplied with over 40 methods with information on over 1,000 compounds for LC/MS/MS analysis. Methods are available for:¦¦ Natural toxins (mycotoxins and marine biotoxins)¦¦ Pesticides¦¦ Veterinary drugs (including antibiotics)¦¦ Steroid hormones¦¦ Amphetamines¦¦ Water soluble vitamins Quanpedia also offers users the option to append their own methods and compounds and modify or update existing methods to create an evolving scientific database.Automatically create data acquisition and processing methodsQuanpedia acts as a comprehensive store for information related to a Selected Ion Reaction (SIR) or Multiple Reaction Monitoring (MRM) analysis for a given compound. By simply selecting compounds from the database, Quanpedia automatically creates data acquisition methods required to perform the analysis.Ensure method fidelity Quanpedia enables efficient, rapid, and easy information management of both methods and compounds, allowing new methods to be rapidly generated for any of the compounds contained within the database. Transferring compound and method information between multiple workstations or laboratories is made easy, reducing the risk of transcription errors. Three clicks to an analysis methodClick 1. Select “Run Samples” to generate list of analysis method.Click 2. Select name of the analysis you want to run.Click 3. Enter the analysis name to generate the corresponding LC, MS/MS, and TargetLynx processing method.4¦¦ An analyte concentration is below set LOD and LOQ thresholds.¦¦ The standard deviation of response for QC standards exceeds a defined value.¦¦ The blank response is too high.¦¦ The coefficient of determination (r2) of the calibration curve exceeds a defined value.REV IEW RESULT SIdentify non-compliant samples TargetLynx automates sample processing and reporting for quantitative results. TargetLynx minimizes the possibility of errors by incorporating a range of confirmatory checks that identify samples that fall outside user-specified or regulatory thresholds.TargetLynx rapidly identifies and flags samples where:TargetLynx enables automated data acquisition, processing, and reporting for quantitative data, incorporating a range of confirmatory checks that identify samples that fall outside of user-specified or regulatory thresholds.¦¦ Analytes are above a specified regulatory limit.¦¦ Analyte confirmatory ion ratios are outside specified tolerance.¦¦ One or more analyte signal-to-noise ratios are below a defined value.¦¦ An analyte retention time or relative retention time is outside limits.TargetLynx facilitates the grouping of compounds so that a compound class or more than one marker residue can be summed together to give an overall response.5MONITOR MET HOD PERFORMANC E Automate data quality monitoringQCMonitor is an automated tool that provides real time data quality monitoring to ensure that user-defined criteria fall within desired tolerance. When injections in the batch fail to meet acceptance criteria the user can select whether to re-inject, skip or stop the batch and receive an email notification. Criteria checked include calibration linearity, ion ratios, retention times and responses of QCs, blanks and standards. In this way, QCMonitor can prevent loss of valuable samples. Diagnosis of whether co-extracted interferants are the source of QCMonitor flags is also made easier by the ability to acquire high-sensitivity full scan data simultaneously with MRM, adding a new dimension of QC for LC/MS/MS analyses. The features of the TargetLynx Software Method Editor detail the parameters that can be modified within QCMonitor. Highlighted are the settings for the calibration standards, the limits that must be obeyed, and the type of actions that can be applied if the injection fails to meet the set criteria.QCMonitor¦¦ Validate sample analytical performance¦¦ Proactively implement remedial actions if injections fail to meet the set criteria¦¦ Email alerts chemists to problems as soon as they ariseWaters Corporation 34 Maple Street Milford, MA 01757 U.S.A. T: 1 508 478 2000 F: 1 508 872 1990 www.waters.comWaters and UPLC are registered trademarks of Waters Corporation. TrendPlot, Quanpedia, QCMonitor, IntelliStart, TargetLynx, and T he Science of What’s Possible are trademarks of Waters Corporation. All other trademarks are the property of their respective owners.©2013 Waters Corporation. Produced in the U.S.A.January 2013 720004484EN LB-PDFTrendPlotTrendPlot quickly and easily plots various types of analytical data, and many different aspects of the data can be mapped. New data points can easily be added to an active graph, enabling the tracking of data over many months or even years. TrendPlot offers analysts vital, on-going statistics about their datasets to assess the robustness and repeatability of their methods.¦¦ Automatically plots control charts from the datasets.¦¦ Performs statistical analysis allowing outliers to be easily identified within a sample run.¦¦ Spots trends in historical data across many sample runs.¦¦ Provides early warning of impending issues.¦¦ Highlights process errors, determines measurement uncertainty, estimates limits of detection, and compares methods or chemists.¦¦ Provides the analyst with decision criteria for when action needs to be taken.TrendPlot automatically plots control charts from the datasets, allowing outliers to be easily identified within a sample run, or trends spotted in historical data across many sample runs.