PFAS in Bottled Water: A Simple Approach Using HS-SPME GC/MS/MS for Volatile Contaminant Analysis

Importance of the Topic

Per and polyfluoroalkyl substances (PFAS) are persistent pollutants increasingly found in bottled water and associated with health hazards. Reliable detection of both common and volatile PFAS species is critical for ensuring consumer safety and regulatory compliance.

Study Objectives and Overview

This study demonstrates a workflow based on headspace solid phase microextraction (HS-SPME) combined with triple quadrupole GC/MS/MS to detect thirteen volatile PFAS in bottled water. Emphasis is placed on method simplicity, rapid sample preparation, and robust quantification across a broad compound range.

Used Instrumentation

• Gas chromatograph GC Nexis GC-2030 with splitless injection
• Mass spectrometer GCMS-TQ8040 NX operated in MRM mode
• AOC-6000 Plus autosampler with HS-SPME module
• SPME fiber coating DVB/CAR/PDMS (50/30 µm)
• SH-I-624Sil MS capillary column 30 m × 0.25 mm × 1.4 µm

Methodology and Instrumentation

• Sample volume 10 mL bottled water fortified with internal standards at 100 ng/L and 2% NaCl for extraction salinity
• Fiber incubation 5 min at 50 °C, extraction 30 min, desorption 7 min at 240 °C, agitation at 300 rpm
• GC oven program: 40 °C hold, ramp to 190 °C at 5 °C/min, then to 300 °C at 40 °C/min
• MRM transitions optimized for thirteen PFAS including PFHxI, PFOI, FTIs, FTOHs, FTACs, FTMACs, FASAs
• Calibration curve constructed from 1 to 2 000 ng/L with isotope dilution and internal standards
• Method blanks, initial and continuing calibration verifications performed to ensure absence of interferences and stable quantification accuracy (70–130%)

Main Results and Discussion

• No target PFAS were detected in method blanks confirming a contaminant-free system
• Calibration curves showed excellent linearity (R2 ≥ 0.994) across all compounds
• Precision and accuracy in reagent water LCS recoveries ranged 69–128% with RSDs below 9%
• Bottled water spike recoveries ranged 69–124% with RSDs below 13.2% indicating minimal matrix effects
• Total ion chromatograms displayed well-resolved peaks for all thirteen PFAS without notable peak shape deterioration in bottled water

Benefits and Practical Applications

• Minimal sample preparation and rapid analysis facilitate high-throughput screening of volatile PFAS
• Complementary to LC/MS methods by extending detection to FTOHs, FTIs and other volatile classes
• Robust quantification supports routine quality control in laboratories monitoring bottled water safety
• Single analytical platform reduces instrument complexity and operational costs

Future Trends and Potential Uses

• Integration with high-resolution GC/MS for expanded nontarget PFAS profiling
• Automation enhancements for field-deployable or online monitoring systems
• Development of broader fiber chemistries to capture ultra-volatile PFAS species
• Application of the method to other aqueous matrices such as environmental and industrial effluents

Conclusion

The HS-SPME GC/MS/MS workflow provides a simple, precise and accurate approach for quantifying volatile PFAS in bottled water. It achieves low ng/L detection limits, excellent linearity, and reliable recoveries in complex matrices, offering an effective tool for regulatory and research laboratories seeking comprehensive PFAS analysis.

Reference

No external literature references were provided in the original document.