Development, validation, and application of an innovative UHPLC-Orbitrap-HRMS method for multi-class analysis of endocrine disruptors in bottled water: Influence of bottle material, water source, and retail price

Background: Endocrine disrupting compounds (EDCs) are linked to chronic conditions such as hormonal cancers, metabolic disorders, and reproductive dysfunction. They can enter drinking water through inadequate wastewater treatment and poor waste disposal, contaminating surface and groundwater. Bottled water adds risk due to leaching of packaging chemicals, especially from plastics. Since even low-level exposure may harm health, systematic monitoring is crucial. This requires advanced analytical methods able to detect and quantify multiple EDC classes at trace concentrations in bottled drinking water. Results: This study developed and validated a comprehensive multi-residue method to quantify 25 EDCs across eight chemical classes - hormones, microbial agents, mycotoxins, pesticides, pharmaceuticals, phenols, phthalates, and sunscreen agents - and to screen 983 additional suspected EDCs in drinking water. The method, based on solid-phase extraction coupled with ultrahigh performance liquid chromatography–high resolution mass spectrometry, was optimized using factorial design to ensure accuracy and reliability. Validation with still water demonstrated excellent linearity (R² ≥ 0.99), low detection limits (0.5–5.0 ng L⁻¹), and compliance with international criteria for recovery, precision, and measurement uncertainty. Cross-validation on sparkling water further confirmed robustness, with only 17β-estradiol showing slightly elevated recovery at the lowest concentration. Stability tests showed analytes remained intact for 72 h under dark conditions. Application to 37 Belgian bottled waters revealed 17 EDCs, with bisphenol B and acetaminophen most abundant. More compounds occurred in plastic than glass bottles, while mineral water showed higher α-zearalanol than spring water. Notably, premium plastic bottled water contained increased phthalate levels. Significance: This study presents a robust method for multi-class EDC analysis in bottled drinking water, offering high sensitivity and broad coverage, including EU watch list substances. Using an extensive suspect screening database from international inventories, it is the first Belgian study to map diverse EDCs in popular bottled water brands. The findings provide crucial data for public health risk assessment and inform regulatory and commercial decisions, emphasizing packaging, source type, and retail price as key factors.