LC/MS, LC/MS/MS, LC/QQQ
IndustriesEnvironmental
ManufacturerShimadzu
Importance of the Topic
Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants with potential health risks. Their presence in bottled water is of growing concern due to widespread consumption and possible migration from packaging materials.
Study Objectives and Overview
This study assessed 24 PFAS compounds in seven commercial bottled water samples representing various bottle materials (glass, cardboard, metal, virgin plastic, recycled plastic) and two water sources (spring and purified). A rapid direct-injection LC–MS/MS method was developed to evaluate PFAS occurrence and the influence of container composition and water origin.
Methodology and Instrumentation
Samples were spiked with isotopically labeled surrogates, diluted with 50:50 methanol:water containing 0.1% acetic acid, vortexed, filtered, and subjected to direct injection (30 µL). Chromatography employed a Restek Raptor C18 column with a PFAS delay column to eliminate background contamination, under a 21-minute gradient. Detection was by Shimadzu LCMS-8050 triple quadrupole MS using multiple reaction monitoring (MRM). Calibration ranged from 5–200 ppt, with an LOQ of 10 ppt.
Main Results and Discussion
The method demonstrated recoveries of 87.6 %–129.5 % and RSD < 10 % for most analytes. Of 24 PFAS screened, only perfluorobutanoic acid (PFBA) and 6:2 fluorotelomer sulfonate (6:2 FTS) were detected above the LOQ. Key findings:
- Plastic bottles contained measurable PFAS, with recycled plastic showing the highest total levels.
- A spring water sample in plastic exhibited the highest PFBA concentration, indicating potential source contamination.
- Glass and cardboard containers showed no quantifiable PFAS.
These observations suggest both packaging material and water source impact PFAS levels in bottled water.
Benefits and Practical Applications
The direct-injection LC–MS/MS approach provides rapid analysis with minimal preparation, making it suitable for routine quality control of beverages. High sensitivity and reproducibility meet regulatory standards for drinking water and food contact testing.
Future Trends and Potential Applications
Future developments may include isotopic dilution for absolute quantitation, expanded PFAS panels covering novel short-chain analogs, and high-throughput screening across diverse packaging types. Investigations into PFAS degradation products and migration mechanisms will inform risk assessments and material selection.
Conclusion
A fast direct-injection LC–MS/MS method effectively quantifies PFAS in bottled water. Findings highlight elevated PFAS in plastic bottles, especially recycled plastic, and underscore the role of water source. Further studies on packaging processes and source contamination are recommended.
Used Instrumentation
- Shimadzu Nexera X2 SIL-30AC autosampler
- Shimadzu LCMS-8050 triple quadrupole mass spectrometer
- Restek Raptor C18 analytical column with PFAS delay column
- Ammonium acetate in acetonitrile/water mobile phases
References
- FDA. Makes Available Testing Method for PFAS in Foods and Final Results from Recent Surveys
- FDA. Results from Second Round of Testing for PFAS in Foods from the General Food Supply
- International Bottled Water Association. Recommended PFAS Levels in Bottled Water
- U.S. EPA. Basic Information about Per‐ and Polyfluoroalkyl Substances (PFAS)
- Prakash B., Marfil-Vega R., Gilles C., Lipps W. Analysis of PFAS in Non-Drinking Water Matrices Using LC-Triple Quad MS. Pittcon 2020 Poster 626-18P
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