The LC-MS/MS data files associated with oxPUFAs were converted from the .raw data format to centroided .mzML files using the ThermoRawFileParser version 1.4.2 . Subsequently, the .mzML file was processed further using MZmine3 (version 3.7.0) . Mass detections were conducted with a noise level threshold of 2E4 in MS1 and 2E3 in MS/MS. The ADAP chromatogram builder utilized a minimum group size of 4 scans, a group intensity threshold of 5E3, a minimum highest intensity of 1E4, and an m/z tolerance of 3 ppm. Chromatogram deconvolution employed the Local Minimum Search algorithm with the following settings: chromatographic threshold = 50%, search minimum in RT range (min) = 0.03, minimum relative height = 1%, minimum absolute height = 2E4, min ratio of peak top/edge = 1, peak duration range (min) = 0.00-1 and minimum scans (data points) = 4. The extracted features of the same PUFA were aligned together using a m/z tolerance of 3 ppm, and retention time tolerance of 0.03 min. The peak list was filtered to retain only features with MS/MS features. All features present in the blank samples have been removed, unless the intensity (peak height) of the feature is 300% more intense than that present in the blank. The alignment was checked with the ISs features which were picked and aligned correctly across samples. The QC data was not used in this alignment approach but provided as a part of this data descriptor for further studies more focused on the quality assurance of semiquantification. All even-mass features have been removed to simplify the studied molecular network. Gap filling is employed to reduce false missing values, using an intensity tolerance of 20%, an m/z tolerance of 3 ppm, and a minimum of 5 scans. Also, an additional feature table was obtained by aligning the feature tables from each PUFA using the same parameters stated before (i.e., all PUFA alignment). The resulting .mgf and .csv files were exported using the built-in "Export/Submit to GNPS/FBMN" option in MZmine3. Finally, the molecular networks were created using the online FBMN workflow 40 (version release_28.2) at GNPS platform () with a parent mass tolerance of 0.02 Da and an MS/MS fragment ion tolerance of 0.02 Da.