Text S1: Chromatographic conditionsTable S1: List of chemicals included in the accurate mass MS/MS spectral library (included as a separate file) Table S2: Compounds identified in the effluent wastewater sample by the different sampling strategies (POCIS sorbent, POCIS membrane and spot water) injected in the four chromatographic modes (RPLC, HILIC, MMLC and SFC). Detections are coded as 1, while nondetections are coded as 0.
Text S1: Chromatographic conditionsRPLC separation was carried out with a ZORBAX Extend-C18 1.8 µm (2.1 x 50 mm) column supplied by Agilent Technologies, connected to a Supelco ColumnSaver 0.5 µm Precolumn Filter (Supelco, Bellefonte, PA, USA). The temperature at the column was fixed at 35 °C and a 2 µL aliquot of the sample was injected. As mobile phases, methanol (A) and water (B) both with 0.1% formic acid (pH 2.7) were used at flow rate of 0.4 mL/min. The gradient elution started with 98% A, increasing to 100% B in 22 min, held for 4 min. Subsequently, it returned to initial conditions (98% A) and was held for 4 min for column back-conditioning.HILIC separation was adapted from Schulze et al. [1] and carried out with an EC 150/2 NUCLEODUR HILIC 3 µm (2 x 150 mm) column supplied by Macherey Nagel (Düren, Germany), connected to a Supelco ColumnSaver 0.5 µm Precolumn Filter. The temperature at the column was fixed at 35 °C and a 2 µL aliquot of the sample was injected. As mobile phases, a mixture of water-acetonitrile (95:5 v/v) containing 5 mM ammonium formate (apparent pH 2.9) (A) and a mixture of acetonitrile-water (95:5 v/v) also with 5 mM ammonium formate (apparent pH 2.9) (B) were used at flow rate of 0.2 mL/min. The gradient elution started with 100% B, increasing to 50% A in 12 min, held for 8 min. Subsequently, it returned to initial conditions (100% B) and was held for 10 min for column back-conditioning.MMLC separation was carried out with an Acclaim Trinity P1 3 µm (2.1 x 50 mm) column supplied by Thermo Scientific (San Jose, CA, USA), connected to a Supelco ColumnSaver 0.5 µm Precolumn Filter, based on the work of Montes et al. [2] The temperature at the column was fixed at 35 °C and a 2 µL aliquot of the sample was injected. As mobile phases, a mixture of water-acetonitrile (98:2 v/v) with 5 mM ammonium acetate (apparent pH 5.5) (A) and a mixture of acetonitrile-water (80:20 v/v) with 20 mM ammonium acetate (apparent pH 5.5) (B) were used at flow rate of 0.2 mL/min. The gradient elution started with 98% A, increasing to 100% B in 10 min, held for 10 min. Subsequently, it returned to initial conditions (98% A) and was held for 10 min for column back-conditioning.SFC separation was carried out with a Torus DIOL 1.7 µm (3.0 x 100 mm) column supplied by Waters Corporation (Milford, MA, USA), connected to a Supelco ColumnSaver 0.5 µm Precolumn, adapting a protocol proposed by Schulze et al. [1]. The temperature at the column was fixed at 45 °C and a 2 µL aliquot of the sample was injected. As mobile phases, supercritical CO 2 (A) and methanol (0.2% ammonia) (B) were used at flow r...