Simultaneous Analysis of Pesticides in Water Using GCMS-QP2050 and AI Peak Integration

Significance of the Topic

The presence of agricultural pesticides in surface and drinking water is subject to increasingly stringent regulation to protect human health and ecological systems. Reliable multi-residue analysis of hundreds of compounds at trace levels is critical for environmental monitoring, regulatory compliance, and ensuring safe water supplies.

Objectives and Overview

This study demonstrates a streamlined workflow for simultaneous quantitation of over 140 pesticide residues in water using the Shimadzu GCMS-QP2050 entry-level GC-MS paired with AI-driven peak integration. Key goals include:

• Assessing analytical sensitivity and linearity at low concentrations (down to 0.003–0.005 mg/L).
• Evaluating repeatability and quantitative accuracy across multiple target analytes.
• Comparing conventional and AI-based peak integration performance to reduce operator dependency.

Methodology and Instrumentation

Water samples were spiked with a comprehensive pesticide mixture at concentrations from 0.003 to 0.5 mg/L, using anthracene-d10, 9-bromoanthracene, and chrysene-d12 as internal standards. Repeated accuracy checks were performed at 0.005 mg/L.

• GC-MS: Shimadzu GCMS-QP2050 entry model with new ion optical system for high sensitivity and durability.
• Column: SH-I-5MS (30 m×0.25 mm i.d., 0.25 µm film thickness).
• Injector: Topaz splitless single-taper gooseneck liner; injection at 250 °C, 2 µL splitless.
• Carrier Gas: Helium at constant linear velocity (44.5 cm/s).
• Oven Program: 80 °C hold for 2 min, ramp 20 °C/min to 180 °C, then 5 °C/min to 300 °C (3 min).
• MS Detection: Electron ionization, SIM mode; ion source 230 °C; interface 250 °C; TMP evacuation rate 60 L/s.
• Data Processing: LabSolutions Insight software with Peakintelligence™ for automated AI-based peak integration.

Main Results and Discussion

At 0.005 mg/L, the system achieved high signal-to-noise ratios and calibration linearity (R² > 0.999) for representative pesticides. Repeatability studies (n = 5) across all targets yielded %RSD values below 5%, demonstrating robust precision. AI-based Peakintelligence outperformed conventional Chromatopac integration by:

• Automatically detecting and integrating peaks without manual parameter setup.
• Eliminating baseline and peak-skirt errors common at low concentrations or in crowded chromatograms.
• Delivering consistent results equivalent to experienced analysts, thereby reducing data review time.

Benefits and Practical Applications

The combination of GCMS-QP2050 and AI integration offers:

• Cost-effective entry-level GC-MS with high sensitivity and quantitative performance.
• Substantial reductions in operator training requirements and analysis time.
• Enhanced confidence in multi-residue quantitation for environmental and regulatory laboratories.

Future Trends and Possibilities

Advancements likely to further improve pesticide residue analysis include:

• Wider application of AI-driven algorithms for non-target screening and deconvolution of complex mixtures.
• Adoption of hydrogen as carrier gas, leveraging high-capacity turbomolecular pumps for faster analysis.
• Integration of cloud-based data management and remote QC monitoring to support networked laboratory operations.

Conclusion

This application showcases that the Shimadzu GCMS-QP2050 paired with Peakintelligence™ enables fast, sensitive, and reliable multi-residue pesticide analysis in water. The workflow meets stringent regulatory requirements while reducing operator workload and enhancing data consistency.