Secrets of science magazine 02/2024

Importance of the topic

Water pollution by pesticides threatens ecosystems and public health worldwide. Simultaneous multi-component analysis of pesticides in environmental waters is essential for rapid, accurate monitoring and risk assessment.

Objectives and overview

This study demonstrates a high-performance workflow combining a next-generation GC-MS system with AI-driven peak integration software to accelerate and standardize quantitative analysis of pesticides in water down to trace levels.

Materials and Methods

Mixed standard solutions of 140 pesticides (0.003–0.5 mg/L) and internal standards (anthracene-d10, 9-bromoanthracene, chrysene-d12) were prepared in water. Repeated accuracy tests at 0.005 mg/L were performed. Chromatographic separations used a SH-I-5Sil MS capillary column and an AOC-30i autoinjector under splitless conditions. GC temperature programming spanned 80 °C to 300 °C. The GCMS-QP2050 entry model acquired data in SIM mode, with Peakintelligence™ providing AI-based peak integration under LabSolutions Insight™.

Instrumentation used

• GCMS-QP2050 entry model
• AOC-30i autosampler
• SH-I-5Sil MS column
• LabSolutions Insight with Peakintelligence™ algorithm

Main results and discussion

Pesticide peaks at 0.005 mg/L displayed high sensitivity and excellent linearity (R² > 0.999). AI-based peak integration:

• Consistently matched expert integration across low-concentration peaks and overlapping signals
• Eliminated baseline errors and skewed peak processing seen with conventional methods
• Reduced manual correction time and operator bias

The GCMS-QP2050 demonstrated high quantitative accuracy and robustness, even using hydrogen as carrier gas when equipped with a turbomolecular pump.

Benefits and practical applications

• Automated, reproducible pesticide quantitation in drinking and environmental waters
• Minimized operator dependence and training requirements
• Enhanced throughput for regulatory and monitoring laboratories
• Cost-effective compliance with stringent environmental standards

Future trends and applications

Further integration of AI-driven data processing with advanced GC-MS hardware will expand capabilities in environmental diagnostics. Portable GC-MS platforms and real-time data analytics will support on-site monitoring. Broader adoption of AI integration promises standardized workflows across laboratories, reducing variability and accelerating environmental decision-making.

Conclusion

The combination of the GCMS-QP2050 entry model and Peakintelligence™ AI peak integration enables highly sensitive, accurate, and efficient multi-pesticide analysis in water. This integrated approach reduces manual intervention, improves data consistency, and supports fast, reliable environmental monitoring.

References

• Shimadzu LabSolutions Insight and Peakintelligence™ product documentation
• Shimadzu GCMS-QP2050 entry model specifications