Solving Analytical Challenges in PFAS Testing Using the Xevo TQ Absolute XR Mass Spectrometer with waters_connect for Quantitation

Importance of the Topic

Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants with significant regulatory focus due to their widespread occurrence and potential health impacts. Reliable identification, quantification, and confirmation of PFAS in various matrices are essential to meet evolving reporting standards and protect environmental and public health.

Objectives and Study Overview

This study evaluated the long-term performance and analytical robustness of the Xevo TQ Absolute XR Mass Spectrometer coupled with waters_connect for Quantitation Software across more than 17,500 injections. The analysis included landfill leachate, biosolids, and river water to assess consistent detection of eleven PFAS residues and the software’s ability to report branched, linear, and total isomer concentrations over a 120-day period.

Methodology and Instrumentation

Samples were prepared by spiking landfill leachate with internal standards, followed by solid-phase extraction using Oasis WAX/GCB cartridges and cleanup procedures. Chromatographic separation was performed on the ACQUITY Premier UPLC System. Detection and quantitation were carried out using the Xevo TQ Absolute XR triple quadrupole mass spectrometer controlled by waters_connect for Quantitation Software, which provides enhanced low-mass transmission and isomer reporting features.

Key Results and Discussion

Eleven PFAS compounds, including challenging analytes PFBA and PFPeA, were consistently detected in landfill leachate extracts. Separate calibration curves for branched and linear PFHxS and PFOS demonstrated stable quantitation over more than 4,000 injections. The Totals feature enabled seamless aggregation of isomer data with consistent reporting over 120 days. Implementation of the m/z 19 product ion as a confirmation transition allowed simultaneous quantitation and confirmation of small PFAS, maintaining ion ratio tolerance within ±30% throughout the study.

Benefits and Practical Applications of the Method

• Enhanced instrument uptime and reliability in complex environmental matrices.
• Streamlined reporting of branched, linear, and total isomer concentrations using a single software workflow.
• Elimination of the need for high-resolution mass spectrometry or separate confirmatory runs for small PFAS analytes.

Future Trends and Applications

As regulatory scrutiny of PFAS expands, integration of targeted quantitation with high-resolution screening and automated data processing will become increasingly important. The described platform can be adapted to broader PFAS panels, support interlaboratory harmonization, and facilitate real-time environmental monitoring networks.

Conclusion

The combination of the Xevo TQ Absolute XR Mass Spectrometer and waters_connect for Quantitation Software delivers robust, high-confidence PFAS analysis in challenging matrices, fulfilling regulatory requirements and improving laboratory efficiency.

References

1. Hancock P, Adams S, Gould D. Enhanced Reliability for Long-Term PFAS Analysis with the Xevo TQ Absolute XR Mass Spectrometer, Waters Application Note. 720008824.
2. Organtini KL, Rosnack KJ, Plummer C, Hancock PM, Burt O. Analysis of Per- and Polyfluoroalkyl Substances (PFAS) in Accordance with EPA 1633 Part 2: Analysis of Aqueous Matrices. Waters Application Note. 720008143.