| LC-ESI(−)-HRMS | Retention time 19.15 min; [M−H]⁻ m/z 295.2279; product ions m/z 277.2173 and 195.1390 |
|---|---|
| LC-UV | Absorbance at 235 nm |
| GC-EI-MS, methyl ester and trimethylsilyl ether derivative | Prominent ion m/z 173 |
| LC-ESI(−)-HRMS, monoepoxidized derivative | [M−H]⁻ m/z 311.2228; [M−H−H₂O]⁻ m/z 293.2122; product ion m/z 211.1340 in all four peaks; product ions m/z 157.0869 and 141.0919 in the first two peaks and m/z 167.1078 in the remaining two peaks |
| LC-MS comparison with synthesized standard | Consistent retention times, identical [M−H]⁻ m/z ratios, two fragment ions, and their ratio identified the compound as iso 13-HODE |
Ariane Löwen, Kathrin Plitzko, Ina Willenberg, Frank Möllering, Nils Helge Schebb. “Iso 9-HODE and iso 13-HODE: novel markers of thermal processing in vegetable oils.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15002490/v2
Values presented only in chromatograms, spectra, plots, or image-only tables were not transcribed. The supporting information is appended to the main paper
| LC-ESI(−)-HRMS | Retention time 19.65 min; [M−H]⁻ m/z 295.2279; product ions m/z 277.2173 and 171.1026 |
|---|---|
| LC-UV | Absorbance at 235 nm |
| GC-EI-MS, methyl ester and trimethylsilyl ether derivative | Prominent ion m/z 259 |
| LC-ESI(−)-HRMS, monoepoxidized derivative | [M−H]⁻ m/z 311.2228; [M−H−H₂O]⁻ m/z 293.2122; product ion m/z 171.1026; product ion m/z 225.1496 in the first two peaks and m/z 199.1341 in the remaining two peaks |
| LC-MS comparison with synthesized standard | Consistent retention times, identical [M−H]⁻ m/z ratios, two fragment ions, and their ratio identified the compound as iso 9-HODE |