NMR spectroscopy data (600 and 950 MHz) of oxidised triolein, trilinolein, trilinolenin, rapeseed oil, and sunflower oil

Dataset containing NMR (nuclear magnetic resonance) spectroscopy of oxidised triacylglycerides (triolein, trilinolein, and trilinolenin) and oils (rapeseed oil and sunflower oil). The dataset was used for the annotation of substructures observed in oxidised vegetable oil. It includes 1D proton, 1D selective proton, 2D (band-selective) HSQC, 2D (band-selective) HMBC, 2D TOCSY, 2D ROESY, 2D HSQC-TOCSY spectra.

This dataset was used to develop a NMR-based oxylipidomics worksflow. We describe a workflow that can be used to study lipid oxidation mechanistically in a paper that can be found here: https://www.sciencedirect.com/science/article/abs/pii/S0963996924016831.

The NMR data was acquired on two systems. A 950 MHz with cryoprobe from the NMR facility at Radboud University (Nijmegen, the Netherlands) and a 600 MHz from the MAGNEFY centre (Wageningen University, the Netherlands).