Liquid chromatography - quadrupole Orbitrap mass spectrometry method for selected pharmaceuticals in water samples

Area of Science:

• Environmental Chemistry
• Analytical Chemistry
• Mass Spectrometry

Background:

• Pharmaceuticals and personal care products (PPCPs) are emerging contaminants in water bodies.
• Accurate detection methods are crucial for assessing environmental and health risks.
• Existing analytical techniques may lack the sensitivity or specificity required for trace-level PPCP analysis.

Purpose of the Study:

• To develop and validate a sensitive analytical method for quantifying 13 PPCPs in water samples.
• To achieve sub-parts-per-billion (ppb) detection limits for PPCPs.
• To apply the developed method to real-world water samples from Victoria, Australia.

Main Methods:

• Ultra-high-performance liquid chromatography coupled with quadrupole Orbitrap mass spectrometry (UHPLC-Q-Orbitrap-MS).
• Solid-phase extraction (SPE) using hydrophilic-lipophilic balance cartridges for sample preparation.
• Parallel reaction monitoring (PRM) mode for MS/MS analysis to enhance selectivity and sensitivity.

Main Results:

• The method achieved sub-ppb detection limits (0.01-0.61 ng/mL) for 13 PPCPs.
• High linearity (R² 0.9875–0.9993) and mass accuracy (<2 ppm) were obtained.
• The method demonstrated high resolution (70,000 FWHM) and sufficient data points per peak (20-30).

Conclusions:

• The developed UHPLC-Q-Orbitrap-MS method is highly effective for sensitive and accurate detection of PPCPs in water.
• This analytical approach provides a robust tool for environmental monitoring of PPCP contamination.
• The method's application to Australian water samples highlights its practical utility.