The centroided dataset is comprised of surface water samples coming from different rivers collected at 4 week intervals. This data has been made publicly available and can be obtained from the MassIVE repository: . In brief, the collected samples were extracted using solid phase extraction and analyzed with DDA LC-HRMS with a reversed phase column selectivity. For the mobile phase a mixture of water with 0.1% formic acid (A) and methanol (B) was used. The gradient started with 90/10 A/B for 2 minutes, 0/100 at 15 minutes, 0/100 at 20 minutes, 90/10 from 21 to 30 minutes, using a flow rate of 0.2 mL/min. As for the DDA MS part, the samples measured with positive electrospray ionization were used.