Glycerol core aldehydes (GCAs) are significant nonvolatile aldehyde compounds generated in heated edible oils, which may pose potential health risks. Utilizing the complementary CID and EAD mass spectrometry data, this study introduced a predict-to-hit strategy, identifying 42 types of GCAs from oxidized OOO, LLL, and LnLnLn. Structural analysis revealed that oxidation occurred at both the sn-2 and sn-1/3 positions of triglyceride (TG), with the Sn-1/3 position exhibiting greater susceptibility as the degree of TG unsaturation increased. As the temperature increases, the concentration of saturated GCAs steadily rises, while unsaturated GCAs exhibit an initial increase, followed by a decrease. During further oxidation, GCAs tend to convert into hydroxyl compounds, monocyclic epoxides, dicyclic epoxides, and polycyclic epoxides, with epoxy groups predominantly forming at the 9,10 positions. These observations enhance our understanding of the formation of GCAs and promote the search for strategies to delay or prevent oxidation.

中文翻译：

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氧化脂质组学在模拟加热条件下解开三种典型不饱和甘油三酯的甘油核心醛


甘油核心醛 （GCA） 是加热食用油中产生的重要非挥发性醛化合物，可能会带来潜在的健康风险。利用互补的 CID 和 EAD 质谱数据，本研究引入了一种预测命中策略，从氧化的 OOO 、 LLL 和 LnLnLn 中鉴定了 42 种类型的 GCA。结构分析显示，氧化发生在甘油三酯 （TG） 的 sn-2 和 sn-1/3 位置，随着 TG 不饱和度的增加，Sn-1/3 位置表现出更大的敏感性。随着温度的升高，饱和 GCA 的浓度稳步上升，而不饱和 GCA 的浓度最初增加，然后降低。在进一步氧化过程中，GCA 倾向于转化为羟基化合物、单环环氧化物、双环环氧化物和多环环氧化物，环氧基主要在 9,10 位置形成。这些观察增强了我们对 GCA 形成的理解，并促进了对延迟或防止氧化的策略的寻找。