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

Importance of the Topic

Reliable detection of pesticides and other contaminants at trace levels in food is critical for public health, regulatory compliance and ensuring consumer safety.

Objectives and Study Overview

This summary reviews recent advances in LC- and GC-Orbitrap technology for food analysis, highlighting multiple application notes and presentations by Richard Fussell, Charles Yang and collaborating scientists.

• Assess limits of detection and quantitation for a broad range of pesticides, PCBs and SCCPs.
• Demonstrate non-intentionally added substance (NIAS) identification in food contact materials.
• Explore microplastic polymer analysis in biological matrices via pyrolysis–Orbitrap GC-MS.
• Evaluate the benefits of the AcquireX intelligent data acquisition workflow.

Methodology and Instrumentation

High-resolution mass spectrometers coupled to GC and UHPLC platforms were employed:

• GC-Orbitrap systems: Exactive GC, Q Exactive GC with EI/CI, Q Exactive Plus/EMR.
• Orbitrap ID-X Tribrid MS with dual-pressure linear ion trap, ultra-high-field Orbitrap analyzer, ion routing multipole and optional Easy-IC source.
• Thermo Scientific Vanquish Flex UHPLC with Accucore C18 aQ column for LC separations.
• AcquireX workflow for automated background exclusion and prioritized MS/MS acquisition.
• Pyrolysis interface (Frontier EGA/PY-3030D) for microplastic polymer characterization.

Main Results and Discussion

Key performance metrics demonstrated robust analytical capability:

• Limits of detection below 2 µg/kg for 92 of 95 target compounds; ≥82 % of pesticides achieved LOQs ≤1 ppb in strawberry matrix.
• Reproducibility at LOQ levels with %CV and %RSD mostly under 10 % for over 90 % of analytes.
• AcquireX increased the number of identified pesticides through intelligent exclusion of background ions and expanded MS/MS coverage compared to traditional DDA.
• Calibration for ametryn and ofurace (0.5–200 ppb) showed accurate quantitation (bias <10 %) and high precision (CV <5 %).
• Applications extended to NIAS identification, SCCP quantitation, PCB screening, and microplastic analysis in biological tissues.

Benefits and Practical Applications

The combined high mass accuracy (<1 ppm), resolving power (>120 000 at m/z 200) and dynamic range (>6 orders) enable:

• Confident identification of isobaric species and unknowns through accurate mass and fragmentation data.
• Automated workflows that reduce analysis time and minimize false positives/negatives.
• Flexible multi-stage MSn experiments for structural elucidation.
• Routine QA/QC and regulatory monitoring in food safety laboratories.

Future Trends and Potential Applications

Advancements in machine learning-driven spectral interpretation and real-time data processing will further enhance screening capabilities. Continued improvements in ion optics, source designs and software algorithms are expected to expand non-targeted analysis, environmental monitoring and polymer characterization applications.

Conclusion

Orbitrap-based GC- and LC-MS platforms equipped with intelligent acquisition workflows deliver reliable, sensitive and reproducible analysis of pesticides and contaminants in complex food matrices. These technologies support regulatory compliance, research innovation and evolving analytical demands.

References

1. Fussell R, Yang C. Recent developments in the analysis of pesticides and contaminants in food using LC- and GC-Orbitrap Technology. Thermo Fisher Scientific white paper.
2. Thermo Fisher Scientific. Application Note 10584: GC Orbitrap: Pesticides & PCBs.
3. Thermo Fisher Scientific. Application Note 10527: GC-Orbitrap: NIAS in Food Contact Materials.
4. Thermo Fisher Scientific. Application Note 10585: GC-Orbitrap: SCCPs quantitation.
5. Yang C, Kalli A. See the Pesticides You’ve Been Missing with a Thermo Scientific Orbitrap ID-X Tribrid Mass Spectrometer and AcquireX. Thermo Fisher Scientific presentation.