Nevadensin is major constituents of Lysionotus pauciflorus Maxim. (Chinese name: Shidiaolan), which has a variety of pharmacological effects such as anti-mycobacterium tuberculosis activities, antitussive, anti-inflammatory and anti-hypertensive. In this paper, we investigated the metabolism of nevadensin in vitro and in vivo. A strategy was firstly developed to identify the metabolites of nevadensin by using ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS). An on-line data acquisition method a multiple mass defect filter (MMDF) combined with dynamic background subtraction (DBS) was developed to trace all probable metabolites. Furthermore, some assistant tools, such as key fragment ions (KFI), were employed for compound hunting and identification. Based on the proposed method, 23 metabolites were structurally characterized in vivo including 16 phase I and 7 phase II metabolites, and 12 metabolites were detected in vitro containing 10 phase I and 2 phase II metabolites. The results indicated that oxidation, hydrolysis, demethylation, methylation, sulfate conjugation and glucuronide conjugation were main metabolic pathways of nevadensin. In a word, this study maybe can provide reference and valuable evidence for further investigation of the metabolic mechanism of nevadensin.

Nevadensin是Lysionotus pauciflorus Maxim的主要成分。（中文名称：石雕兰），具有多种药理作用，例如抗结核分枝杆菌活性，镇咳，消炎和抗高血压。在本文中，我们研究了神经递质在体外和体内的代谢。首先开发了一种通过使用超高效液相色谱/四极杆飞行时间质谱（UHPLC-Q-TOF-MS / MS）来鉴定nevadensin代谢物的策略。开发了一种在线数据采集方法，将多质量缺陷过滤器（MMDF）与动态背景减法（DBS）结合使用，以追踪所有可能的代谢物。此外，一些辅助工具（例如关键碎片离子（KFI））被用于化合物的寻找和鉴定。基于提出的方法，在体内对23种代谢物进行了结构表征，包括16种I相和7种II期代谢物，体外检测到12种代谢物包含10种I相和2种II期代谢物。结果表明，氧化，水解，脱甲基，甲基化，硫酸盐结合和葡糖醛酸苷结合是nevadensin的主要代谢途径。综上所述，该研究可能为进一步研究nevadensin的代谢机制提供参考和有价值的证据。