Recent developments in the analysis of pesticides and contaminants in food using LC- and GC-Orbitrap Technology

Importance of the Topic

High resolution accurate mass spectrometry using Orbitrap technology is essential for reliable detection and quantitation of pesticide residues and contaminants in food. The growing diversity of analytes, complex sample matrices and stringent regulatory limits require analytical methods that deliver exceptional sensitivity, selectivity and dynamic range. Orbitrap platforms fulfill these demands by minimizing interferences and providing confident identifications.

Study Objectives and Overview

This summary reviews recent advances in LC and GC Orbitrap methodologies applied to food safety analysis. Key applications include routine screening of pesticides and PCBs, elucidation of non‐intentionally added substances in food contact materials, quantitation of short‐chain chlorinated paraffins and profiling of microplastics. The performance of the Orbitrap ID-X Tribrid mass spectrometer combined with the AcquireX workflow for background exclusion and enhanced pesticide screening is also evaluated.

Methodology and Instrumentation

Instrument platforms and techniques:

• Exactive and Q Exactive GC-MS systems offering resolving power up to 120 000 at m/z 200 and mass accuracy below 1 ppm.
• Electron impact and chemical ionisation sources for comprehensive molecular and fragment information.
• Vanquish Flex UHPLC with Accucore C18 aQ column for efficient LC separations.
• Multi-Shot Pyrolyzer coupled to Exactive GC Orbitrap for microplastic polymer analysis.
• Orbitrap ID-X Tribrid MS featuring a dual-pressure linear ion trap, ultra-high-field Orbitrap analyzer, Ion Routing Multipole and AcquireX intelligent data acquisition.

Main Results and Discussion

• GC-Orbitrap methods achieved limits of detection below 2 µg/kg for over 95 % of target pesticides and PCBs, with successful validation of more than 93 % of 167 analytes.
• High-resolution accurate mass spectrometry enabled confident identification of non-intentionally added substances in food contact materials by combining exact mass measurements and fragmentation data.
• SCCP analysis demonstrated selective group separation and robust quantitation using GC-Orbitrap technology.
• Pyrolysis GC-Orbitrap workflows effectively profiled microplastic polymers in biological matrices with high specificity.
• Orbitrap ID-X with AcquireX delivered limits of quantitation down to 0.5 ppb for key pesticides and maintained reproducibility below 10 % CV across 250 analytes in strawberry matrix.
• The AcquireX background exclusion workflow significantly increased the number of identified pesticide residues compared to traditional data‐dependent acquisition.

Benefits and Practical Applications

The integration of Orbitrap high‐resolution mass spectrometry with intelligent acquisition strategies provides high confidence in screening and quantitation, reduces false positives and negatives, and streamlines workflows. These methods are well suited for regulatory compliance testing, quality control in food production and environmental monitoring.

Future Trends and Applications

• Adoption of machine learning for non‐target screening and automated data interpretation.
• Expansion of AcquireX automation for broader analyte coverage and method development.
• Coupling with supercritical fluid chromatography and microfluidic sampling for on‐site and rapid testing.
• Development of compact Orbitrap systems for field‐deployable food safety analysis.

Conclusion

Orbitrap based mass spectrometry platforms deliver unmatched mass accuracy, resolution and dynamic range required for comprehensive pesticide and contaminant analysis in food. When combined with intelligent acquisition workflows such as AcquireX, they meet the most stringent regulatory requirements and offer robust solutions for both targeted and non-targeted applications.

References

• Fussell R; Yang C. Recent developments in the analysis of pesticides and contaminants in food using LC- and GC-Orbitrap Technology. Thermo Fisher Scientific Application Notes.
• Application Note 10584: GC-Orbitrap for Pesticides and PCBs.
• Application Note 10527: HRAMS for NIAS in Food Contact Materials.
• Application Note 10585: GC-Orbitrap Analysis of SCCPs.
• Yang C; Kalli A. Orbitrap ID-X Tribrid MS and AcquireX for Pesticide Screening. Thermo Fisher Scientific Presentation.