Quantitative Polarity Switching LC-MS/MS Method for Pesticides and PPCPs in Environmental Water Samples

Importance of the Topic

Anthropogenic contaminants such as pesticides and pharmaceuticals found in environmental water pose health and ecological risks at trace levels. Reliable, sensitive, and high-throughput analytical methods are essential for regulatory monitoring and understanding contaminant distributions in surface and drinking waters.

Objectives and Study Overview

This work establishes a quantitative LC-MS/MS method with rapid polarity switching to detect a broad panel of 131 pharmaceuticals and personal care products (PPCPs) and common pesticides in water matrices. The study aims to demonstrate exceptional sensitivity, linear dynamic range, and data processing efficiency using the SCIEX Triple Quad 5500+ System–QTRAP Ready.

Used Instrumentation

• SCIEX Triple Quad 5500+ System–QTRAP Ready with Turbo V™ ESI source
• ExionLC™ AD system for chromatography and injection
• Phenomenex C18 Luna Omega Polar column (2.1×150 mm, 1.7 μm)
• SCIEX OS-Q Software (Analytics module) for data processing

Methodology

Samples from surface, indoor tap, distilled, and bottled waters underwent direct injection without cleanup. Chromatographic separation used a 10 min gradient at 0.5 mL/min. The method employed 298 scheduled MRM transitions with 5 ms positive/negative polarity switching to cover diverse analytes. External solvent calibration, deuterated internal standards, and ion ratio confirmation ensured quantitative accuracy.

Main Results and Discussion

The method achieved limits of quantitation down to sub-ng/L levels for key analytes, with r2 >0.995 across six orders of magnitude. Polarity switching and Scheduled MRM provided sufficient data points per peak even in a 10 min run. Automatic Outlier Removal and a traffic-light confirmation system in OS-Q software streamlined calibration and sample review. Field samples revealed widespread occurrence of carbamazepine, caffeine, acetaminophen, DEET, and imidacloprid at concentrations up to hundreds of ng/L, demonstrating method robustness across complex matrices.

Benefits and Practical Applications

The integrated platform permits high-throughput screening of hundreds of PPCPs and pesticides in a single rapid analysis without sacrificing sensitivity or dynamic range. Streamlined data processing reduces manual review time and enhances consistency. This workflow supports regulatory labs, environmental monitoring, and water quality research.

Future Trends and Opportunities

Emerging needs include automation of sample preparation, expansion to high-resolution MS for non-target screening, and coupling with microfluidic or ambient ionization techniques for onsite monitoring. Integration of machine learning in data analysis could further accelerate identification of novel contaminants and enhance predictive environmental risk assessment.

Conclusion

A rapid polarity-switching LC-MS/MS method on the SCIEX Triple Quad 5500+ System–QTRAP Ready offers robust sensitivity, extensive dynamic range, and efficient data handling for quantifying a large panel of environmental contaminants. Its performance in real water samples underscores its suitability for modern water quality monitoring.

References

Hyland KC, Di Lorenzo R. Quantitative Polarity Switching LC-MS/MS Method for Pesticides and PPCPs in Environmental Water Samples: Optimizing Water Analyses with SCIEX Triple Quad™ 5500+ System–QTRAP Ready. SCIEX; 2019.