Additional file 2 of Non-target screening of surface water samples to identify exposome-related pollutants: a case study from Luxembourg

Additional file 2: Table S1. Sampling sites with weblinks. Table S2. Feature finding optimization results. Table S3. Number of 2, 3a and 3b identifications. Table S4. Number of positive and negative identifications. Table S5. Tentatively identified chemicals per month. Table S6. ClassyFire results. Table S7. PubChemLite classifications. Table S8. AGE monitoring comparison. Table S9. Krier et al. (pesticides) comparison. Table S10. Singh et al. (pharmaceuticals) comparison. Table S11. Chiers WWTP Petange comparison (SMILES). Table S12. Chiers results (SMILES) all months. Table S13. List of chemicals with high occurrence in the 34 months analysed, and not currently monitored by AGE. Table S14. European watchlist 2022 comparison.