Data Supporting the Total Synthesis and Identification of Phenolic Phytoprostanes

This dataset contains the raw analytical data generated in support of the study “Total Synthesis of Phenolic Phytoprostanes, Metabolites of Lipophenols”. The raw files are organized into two main folders: Standards: LC-HRMS/MS injections of the synthesized PhytoPs-HT used for retention time and MS/MS spectral matching. In vitro oxidations: LC-HRMS/MS data from various HT-ALA oxidation experiments. File Naming and Experimental Conditions The naming convention of the oxidation files encodes the experimental conditions: Blank_XX: Mobile phase blank injections. HT-ALA: Refers to hydroxytyrosol-ALA (HT-ALA) lipophenol. oxHT-ALA: Refers to oxidized HT-ALA samples. oxHT_plus_oxALA: Oxidized samples where HT and ALA were added separately (not esterified). HT_plus_ALA: Non-oxidized HT and ALA were added separately (not esterified). v70: Indicates oxidation with V70 radical initiator. v70_H2O: V70 used with added water to simulate aqueous radical conditions. 1month: Natural oxidation under ambient light and room temperature over one month. purified: The sample was subjected to preparative silica gel chromatography to remove unoxidized starting material prior to LC-HRMS/MS analysis. NOpurified: No purification step; samples were directly evaporated and reconstituted in mobile phase after oxidation.