Semi-quantified CEC concentrations in SAT water samples (three recharge campaigns)

This dataset compiles the information required to reproduce the suspect screening and semi-quantification of contaminants of emerging concern (CECs) in water samples collected from pilot Soil Aquifer Treatment (SAT) systems during three recharge campaigns (September 2021, October 2022, and January 2023). The dataset includes chromatographic gradients, the suspect list used for screening, validation summaries for the semi-quantification approach, and semi-quantified concentrations reported both before and after blank subtraction. The dataset is provided as a single spreadsheet containing the following worksheets: Table S1. Chromatographic gradients (ESI+ and ESI−)Chromatographic gradient programs used for UHPLC–HRMS analyses in positive and negative electrospray ionization modes. Table S2. Suspect screening databaseCurated database of CECs commonly detected in aquatic environments, used for suspect screening and semi-quantification. Table S3. Semi-quantification validation (positive mode)Summary of semi-quantification validation results in ESI+. Table S4. Semi-quantification validation (negative mode)Summary of semi-quantification validation results in ESI−. Table S5. Semi-quantified concentrations without subtraction (blank + water samples)Semi-quantified concentrations (ng/L) for procedural blanks and water samples without any subtraction, for the three campaigns (September 2021, October 2022, January 2023). Table S6. Semi-quantified concentrations after blank subtraction (water samples)Semi-quantified concentrations (ng/L) for water samples after blank subtraction, for the three campaigns (September 2021, October 2022, January 2023). These values are intended for comparative analyses across campaigns and sampling points.