Per- and Polyfluoroalkyl Substances in Human Liver and Serum

This dataset contains measured concentrations of 54 targeted per- and polyfluoroalkyl substances (PFAS) in 211 human liver samples and 18 matched serum samples, determined using liquid chromatography–tandem high-resolution mass spectrometry (LC-HRMS/MS). The dataset is supplemented with anonymized demographic and physiological information for the matched samples. The dataset comprises: (i) a list of targeted PFAS compounds included in the LC-MS/MS analyses for both liver and serum, (ii) 12 raw data files generated from LC-MS/MS analyses, (iii) information on individual samples, including quality control samples such as blanks, continuous calibration verification samples, and matrix spikes, (iv) quality control criteria thresholds for extracted internal standard recoveries, ion abundance ratios, and retention time shifts, as well as the input parameters used to process the raw data files, (v) combined processed results of PFAS contamination levels, and (vi) anonymized demographic and physiological information. The combined processed results (v) were generated by processing the raw data files (ii) using a Jupyter-based data cleaning and QA/QC pipeline for targeted PFAS LC-MS/MS, as referenced in the Related Publications. Sample information (iii), quality control criteria thresholds, and processing input parameters (iv) were used as inputs to run this pipeline. Raw data files are tagged as raw data. File names indicate the date of sample preparation for each batch (YYYYMMDD), the matrix type (liver or serum), and the analytical method used (core or extended). The core method measures contamination levels of the following PFAS compounds: PFBA, PFPeA, PFHxA, PFHpA, PFOA, PFNA, PFDA, PFUdA, PFDoA, PFTrDA, PFTeDA, PFBS, PFPeS, L-PFHxS, Br-PFHxS, PFHpS, L-PFOS, Br-PFOS, PFNS, PFDS, FBSA, FPeSA, FHxSA, FHpSA, FOSA, 4:2 FTS, 6:2 FTS, 8:2 FTS, 10:2 FTS. The extended method measures contamination levels of: PFPrA, 3:3 FTCA, 5:3 FTCA, 7:3 FTCA, FOEA, PFPrS, MeFBSA, N-EtFBSA-M, L-N-MeFOSAA, Br-N-MeFOSAA, L-N-EtFOSAA, Br-N-EtFOSAA, MeFOSA, EtFOSA, HFPO-DA, DONA, 9ClPF3ONS, 11ClPF3OUdS, 3,6-OPFHpA, PF4OPeA, PF5OHxA, PFECHS, PFEESA, N-AP-FHxSA, N-TAmP-FHxSA. Sample information, quality control thresholds, and simulation parameters are tagged as simulation input. Files ending in _liver.csv or _serum.csv apply only to liver or serum samples, respectively; files without these suffixes apply to both matrix types. Combined processed results across all batches for liver and serum samples are tagged as processed data. Specimen demographic data are tagged accordingly.