Published July 14, 2025 | Version v1
Dataset Open

Data Supporting the Total Synthesis and Identification of Phenolic Phytoprostanes

Creators

  • 1. CNRS Délégation Languedoc-Roussillon
  • 2. ROR icon Universitat de València
  • 3. ROR icon Fundación para el Fomento de la Investigación Sanitaria y Biomédica de la Comunitat Valenciana

Description

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:

  1. Standards: LC-HRMS/MS injections of the synthesized PhytoPs-HT used for retention time and MS/MS spectral matching.

  2. 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.

Notes

The authors would like to thank the Institut des Biomolécules Max Mousseron (IBMM) and Universiy of Montpellier for the PhD contract of J.L. and financial support. Á.S.I. acknowledges the support of grant JDC2022-049354-I funded by MCIN/AEI/10.13039/501100011033 and by the “European Union NextGenerationEU/PRTR” and the CIGE/2022/107 research project from Generalitat Valenciana, Conselleria d'Educació, Cultura, Universitats i Ocupació. P.M. also would like to thank the “Instituto de Salud Carlos III” (ISCIII) for his “Sara Borrell” (CD22/00070) postdoctoral fellowship (funded by the European Union – Next Generation EU).

Files

ox_lipophenols.zip

Files (216.7 MB)

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Additional details

Funding

Ministerio de Ciencia, Innovación y Universidades
Juan de la Cierva JDC2022-049354-I
Generalitat Valenciana
ASNOL Project CIGE/2022/107
Instituto de Salud Carlos III
Sara Borrell CD22/00070