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. 2022 Nov 1;13:6547. doi: 10.1038/s41467-022-33225-9

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 1 — Tandem mass spectrometry analysis of oxidized PC lipid using multistage MS3 (a) or optimized elevated energy stepped HCD MS2 experiments (b) both allowed structural assignment of PC(16:0_18:2<OH{13}>). Positive ion mode ionization adducts for in vitro oxidized neutral lipids showed modification type-specific preferences. Qualitative (c; illustrated using extracted ion chromatograms for oxCE(18:2) species) and quantitative (d, e) distributions illustrate modification-specific preferences to form protonated (dark gray), ammoniated (blue) or sodiated (green) adducts for unmodified (-), hydroperoxy- (OOH), hydroxy (OH), epoxy (ep), or keto (oxo) derivatives of CE and TG. Relative abundances of differential adducts for oxCE (d) and oxTG (e) represent (mean ± SD) values calculated for 10 species. Source data are provided as a Source Data file.