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Abstract

This study presents a comparison of three mass spectrometry-based analytical approaches-targeted tandem mass spectrometry (MS/MS), high-resolution full scan (HRFS), and data-independent acquisition (DIA)-for the quantification and screening of 74 pharmaceuticals across four environmental water matrices: tap water, river water, and influent and effluent wastewater. The methods were validated in terms of limits of quantification (LOQ), trueness, precision, and matrix effects. MS/MS exhibited the best overall performance, achieving the lowest LOQs (median 0.54 ng/L), highest trueness (median 101 %), and minimal matrix effects, confirming its suitability for routine regulatory monitoring. HRFS and DIA, while showing higher LOQs and variability, provided broader screening capabilities with acceptable trueness for 63 % and 81 % of compounds, respectively, and enabled retrospective data analysis. The methods were applied to real samples from the Zivn & yacute; Stream in the Czech Republic to determine pharmaceutical contamination downstream of a wastewater treatment plant (WWTP).

Keywords

Pharmaceuticals; Mass spectrometry; Water analysis; Matrix effects; Wastewater

Published in

MethodsX
2025, volume: 15, article number: 103666
Publisher: ELSEVIER

SLU Authors

UKÄ Subject classification

Oceanography, Hydrology, Water Resources
Environmental Sciences

Publication identifier

  • DOI: https://doi.org/10.1016/j.mex.2025.103666

Permanent link to this page (URI)

https://res.slu.se/id/publ/144418