ChromChem - Universidade de Santiago de Compostela
Published January 9, 2025 | Version v1
Dataset Open

Datasets on contaminants of emerging concern (CECs) and per-/poly-fluoroalkyl substances (PFAS) detected in mollusc and fish samples from the Portuguese coast

Creators

  • 1. ROR icon Universidade de Santiago de Compostela
  • 2. IPMA
  • 3. Portuguese Sea and Atmosphere Institute
  • 4. ROR icon Centro Interdisciplinar de Investigação Marinha e Ambiental
  • 5. Interdisciplinary Centre for Marine and Environmental Research - CIIMAR: Porto, Portugal
  • 6. Faculty of Sciences, University of Porto
  • 7. Interdisciplinary Centre for Marine and Environmental Research - CIIMAR

Description

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.2025.118598
https://doi.org/10.1016/j.marpolbul.2025.118598

 

 If you reuse the data, please cite the publication and ZENODO deposit mentioned above

Notes

FUNDING: The authors acknowledge the funding obtained by different institutions, Xunta de Galicia (ED431C 2025/21), Agencia Estatal de Investigación MCIN/AEI/10.13039/501100011033 (ref. PID2020-117686RB-C32) and project CEIC, “Contaminants in commercial species from the Portuguese coast”, funded by program MAR2020, IPMA, MAR-01.04.02-FEAMP-0012.

Files

GC_HRMS.csv

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