350117 Modeling of Method Detection Limits for Pharmaceuticals, Personal Care Products, and Hormone Analytical Methods Using LC/MS/MS

Monday, November 4, 2013
Grand Ballroom B (Hilton)
Kenneth Ruffatto1, Mark Murphy2, Jeff Pritt3 and Mark Burkhardt2, (1)Department of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL, (2)Region 8 Laboratory, US EPA, Golden, CO, (3)Region 8 Quality Assurance, US EPA, Denver, CO

The US Environmental Protection Agency (USEPA) Region 8 Laboratory and Quality Assurance program provides data in order to quantify and identify unregulated compounds, pharmaceuticals, and endocrine disrupters in the water supply. This data must go through a validation process that is supported by the determination of a detection limit. There are multiple statistical approaches in place to determine a detection limit with varying results causing discrepancies in validation procedures from one method to another. This study uses liquid chromatography/tandem mass spectrometry (LC/MS/MS) in order to give both a quantitative calibration and qualitative “fingerprints” for pharmaceuticals and unregulated compounds. The data supplies a means for calculating various forms of detection limits such as the FACDQ revision to the EPA MDL, Hubaux Vos method, 40 CFR 136 Appendix B, and the Office of Water Lowest Concentration Minimum Reporting Limit (LCMRL). These limits oftentimes are not appropriate for use with tandem mass spectrometry analysis because many of the listed detection limit methods often fail to meet the qualitative standards put in place for identification and typically measure below the actual identification limit. This study aims to compare these various forms of detection limits and propose a logistic regression model that combines both identification and quantification. The logistic regression model utilizes identification criteria from the European Union guidelines in the Office Journal of the European Union (2002) for LC/MS/MS and quantitative calibration calculated by the instrument.

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