Datasets on contaminants of emerging concern (CECs) and per-/poly-fluoroalkyl substances (PFAS) detected in mollusc and fish samples from the Portuguese coast. Data is provided in MS Excel (xlsx) and CSV formats and includes: · Readme.txt: text with further explanations on the contents of each file · Samples.csv: details on samples collected · CSV file (LC_HRMS.csv) with list of compounds detected by liquid chromatography-high resolution mass spectrometry (LC-HRMS) · CSV file (GC_HRMS.csv) with list of compounds detected by gas chromatography-high resolution mass spectrometry (GC-HRMS) · CSV file (Response.csv) with signals (areas) of the analytes detected and those of the internal standards (in parentheses) used for clustering and heatmaps · CSV file (PFAS.csv) with the concentration of 9 PFAS quantified in these samples · Excel file (Dataset_CECs_PFAS_mollusc_fish_Portugal.xlsx) which complies all the above mentioned files in different excel sheets Further details are provided in the associated publication: S. Méndez, R. Montes, D. López-Castillo, J. López-Vázquez, J. Raimundo, M. Caetano, C. Lopes, C. Figueiredo, T. Neuparth, M. Pinheiro, N. Alves, R. Capela, S. Barros, H. Morais, M.M. Santos, J.B. Quintana, R. Rodil. Screening of organic pollutants in mollusc and fish samples from the Portuguese coast by combining liquid and gas chromatography with high resolution mass spectrometry.Marine Pollution Bulleting 222, 2026, 118598. DOI: 10.1016/j.marpolbul.2025.118598https://doi.org/10.1016/j.marpolbul.2025.118598 If you reuse the data, please cite the publication and ZENODO deposit mentioned above