High-Throughput Pesticide Residue Analysis Using an Agilent Ultivo Triple Quadrupole LC/MS and the MassHunter Productivity App

Significance of the Topic

Routine screening of pesticide residues in food is critical to ensure compliance with regulatory maximum residue limits (MRLs) and protect consumer safety. Current demands in food safety laboratories for broader multiresidue analysis and faster throughput intensify the need for robust, automated workflows.

Objectives and Study Overview

This study demonstrates a high-throughput quantitation workflow using the Agilent Ultivo triple quadrupole LC/MS combined with the MassHunter Productivity App for simultaneous analysis of 254 pesticides in broccoli and strawberry matrices. The goal is to streamline sample preparation, data acquisition, and result reporting to support routine food testing laboratories.

Methodology and Instrumentation

Samples of organic and nonorganic broccoli and strawberry were prepared following the EN 15662 QuEChERS protocol with acetonitrile extraction and dispersive SPE cleanup. Calibration standards (1–100 ng/g) were matrix-matched across seven levels. The LC separation was performed on an Agilent ZORBAX Eclipse Plus C18 column at 45 °C using a water/methanol gradient containing ammonium formate, ammonium fluoride, and formic acid. The Ultivo LC/MS system with Jet Stream ESI operated in dynamic MRM mode with polarity switching.

Key Results and Discussion

Calibration curves showed strong linearity (R2 > 0.99) for most compounds down to 1 ng/g (1/5 of typical MRL). Recoveries ranged from 80 % to 120 % with RSDs below 10 %. Multiple pesticides were detected in nonorganic samples, with some exceeding MRLs (e.g., Dimethomorph, Mandipropamid). The MassHunter Productivity App automatically adjusted retention times and qualifier ratios, flagged out-of-range results, and enabled rapid review using filters for concentration thresholds, sample types, and qualification flags. Comparative views and metric plots provided quality control monitoring and false positive identification (e.g., Spinosyn D).

Benefits and Practical Applications

• Fully integrated workflow from sequence setup to reporting in a single interface.
• Reduction of method development time with preconfigured acquisition and analysis methods for >700 compounds.
• Automated flagging and filtering accelerate data review and interpretation.
• Real-time monitoring of instrument performance and QC metrics.

Future Trends and Opportunities

As regulatory demands grow, further enhancements in software automation, expanded compound databases, and AI-driven decision support are expected. Integration of high-resolution MS, ion mobility, and cloud-based data processing will improve sensitivity, selectivity, and remote collaboration in pesticide residue analysis.

Conclusion

The combination of the Agilent Ultivo triple quadrupole LC/MS and the MassHunter Productivity App delivers a powerful solution for high-throughput multiresidue pesticide analysis, meeting stringent regulatory requirements while reducing laboratory workload and enabling faster result turnaround.

References

• Regulation (EC) No 396/2005 of the European Parliament and of the Council of 23 February 2005 on maximum residue levels of pesticides in or on food and feed of plant and animal origin, including amendments up to 18 March 2008, and complying with Regulation (EC) 1107/2009.
• European Commission SANTE/11813/2017, Guidance document on analytical quality control and method validation procedures for pesticides residues and analysis in food and feed, 21 November 2017.