Triple quadrupole technology (GC/MS/MS and LC/MS/MS) has become the instrument of choice for pesticide screening in food commodities. With simplified sample preparation methods and advances in detector sensitivity and selectivity, the number of analytes that can be screened in a single injection can be in the hundreds. The complexity of data analysis and the demand for faster turnaround times has placed a tremendous challenge for the analyst to provide quality data review in a short time frame. While instrument vendor software now includes many features to streamline review of large data sets, some functions are absent that would be useful in pesticide screening (e.g., standard addition calculation, pairing analytical results with client requests for analyte list and detection limits). Using Excel flagging tools in conjunction with LIMS and instrument software, we have been able to automate some of the steps in data review to alert the analyst to problems or needed actions. Some examples of how simple Excel functions can be utilized to manage and organize a complex analytical workload will be presented.

Data analysis strategies for targeted screening of large pesticide profiles using MS/MS technology: Utilizing Excel as a customizable tool in data review and decision-making

248th National Meeting (2014)

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