3-Monochloropropane-1,2-diol (3-MCPD), glycidol, and their esters are some major sources of risk factors during food processing. Here we showed the biomarker analysis of 2,3-dihydroxypropyl mercapturic acid (DHPMA) isomers which derived from the metabolism of 3-MCPD, glycidol, and their esters in urine of rats and humans. Iso-DHPMA, a novel urinary metabolite, was discovered and detected in urine of rats, which were orally administered with glycidol but not 3-MCPD. Using the quadrupole-orbitrap high-resolution mass spectrometry, we confirmed that iso-DHPMA appeared a specific biomarker which derived from glycidol. The limit of quantification (signal-to-noise ratio, 10:1) of the analytes in urine of rats and humans were 1.33 ng/mL and 1.56 ng/mL, respectively. Acceptable within-laboratory reproducibility (RSD<9.0%) and spiking recovery (94.7%-100.1%) substantially supported the use of current method for robust biomarker analysis, which was successfully applied to the toxicokinetic study of DHPMA in rats and short-term internal exposure to 3-MCPD and glycidol in humans.

中文翻译：

---

基于代谢组学的3-一氯丙烷-1,2-二醇和缩水甘油的二羟丙基巯基酸异构体的生物标志物分析，用于评估大鼠体内的毒代动力学和人体日常内部暴露。

3-一氯丙烷-1,2-二醇（3-MCPD），缩水甘油及其酯类是食品加工过程中一些主要的危险因素。在这里，我们显示了在人和大鼠尿液中3-MCPD，缩水甘油及其酯类代谢产生的2,3-二羟丙基巯基乙酸（DHPMA）异构体的生物标志物分析。在大鼠的尿液中发现并检测到了一种新型的尿代谢产物Iso-DHPMA，口服了缩水甘油但未注射3-MCPD。使用四极-轨道阱高分辨率质谱仪，我们证实了iso-DHPMA出现了一种特定的生物标志物，该标志物来自缩水甘油。大鼠和人类尿液中分析物的定量极限（信噪比为10：1）分别为1.33 ng / mL和1.56 ng / mL。实验室内可接受的再现性（RSD <9.0％）和加标回收率（94。