Implementing new GC-MS and LC-MS technologies to stay ahead with your food safety analysis from pesticides to PFAS and microplastics

Significance of the topic

PFAS are persistent synthetic compounds used in many industrial and consumer applications. Their resistance to degradation and potential health impacts make trace-level monitoring in food critical for consumer safety and regulatory compliance.

Objectives and overview of the study

This work demonstrates an advanced LC-MS approach for simultaneous quantification and confirmation of PFAS in food matrices. The method employs high-resolution accurate mass (HRAM) Orbitrap analysis and cloud-based spectral libraries, with a model application to pork muscle to assess performance metrics.

Methodology and used instrumentation

• Sample preparation based on US FDA C-010.01: QuEChERS extraction, dSPE cleanup and sandwich injection on a Vanquish Flex UHPLC system.
• Chromatography: trap and analytical columns (Hypersil Gold C18 trap, Accucore C18 analytical) with a gradient of 5 mM ammonium acetate in water and methanol.
• Mass spectrometry: Orbitrap Exploris 120 in negative mode using data-independent acquisition (DIA) with full scan at 60 000 resolution and MS2 at 15 000 resolution, stepped HCD collision energies.
• Spectral library management: myLibrary Enterprise platform for collaborative library creation, export to mzVault and confirmation in TraceFinder software.

Main results and discussion

• Calibration for 34 PFAS compounds showed linearity (r2 0.9516–0.9993) and average %RSDs below 7 %.
• Recoveries in pork muscle were 80–120 % for most analytes; some deviations linked to reagent contamination or sorbent effects.
• Limits of quantification in matrix were typically below 50 pg/g (≈16.7 ppt in extract).
• Repeatability (%RSD) was generally under 20 %, with higher variability for very long-chain PFAS.
• HRAM and library matching enabled confident confirmation at low ppt levels, effectively resolving matrix interferences.

Benefits and practical applications of the method

• Combined quantification and confirmation of PFAS without additional extract concentration.
• Retrospective screening for non-targeted PFAS using full-scan HRAM data.
• Unified instrument control software streamlines method setup across GC and LC systems.
• Secure, customizable spectral libraries support compound identification and data sharing within organizations.

Future trends and possibilities

Emerging PFAS demand non-targeted and retrospective screening workflows supported by HRAM platforms and AI-enhanced data curation. Expansion to diverse food matrices, tissues, cosmetics and consumer products is anticipated. Cloud-based spectral libraries and automated annotation tools will improve throughput and confidence.

Conclusion

The Vanquish Flex UHPLC coupled with Orbitrap Exploris 120 delivers high sensitivity, accuracy and confirmatory power for PFAS in food. Integration with myLibrary Enterprise streamlines spectral library creation and supports method scalability across complex matrices.