基于代谢组策略的液相色谱-四极杆-飞行时间质谱分析藏药成分

Analysis of the components in Tibetan Medicine based on metabolomic strategy by HPLC-Q-TOF/MS

采用高效液相色谱-飞行时间质谱联用(HPLC-Q-TOF/MS)的代谢组学方法研究了藏药成分。以牦牛作为模式生物,血液样品和藏药去包灵1号经处理后进样分析,利用M arkerview对采集的谱图进行提取、过滤,采用主成分分析(PCA)进行数据分析。结果表明,去包灵1号与不同剂量组牦牛血液中存在共存成分,高剂量组、低剂量组、阳性药组和对照组的代谢轮廓有显著差别,对各组分离贡献大的化合物进行质谱信息匹配,得到80个特征离子,经Metlin和Massbank数据库检索,在复方藏药中,初步鉴定得到8个物质(3-乙基-1,2-环戊二酮、十二烯酸、鹿尾草碱、甲基癸酸、十一烯酸、亚甲二氧基黄烷酮、羟基化美西律和乙酸酯结构),其符合前3 d升高,后降低代谢规律,表明复方藏药可能通过调节糖代谢过程,提高机体免疫力达到治疗疾病的作用。

Ametabolomic strategycombined with ahigh performance liquid chromatography-quadrupole-time oi flight mass spectrometry （HPLC/Q-TOF-MS） was developed for the study of the components in Tibetan Medicine. After the preparation and analysis of blood and tibetan medicine samples, Markerview was used to extract and filter the spectra and principal component analysis （PCA） was used for data analysis. The results showed there were coexisting components both in tibetan medicine and blood samples. PCA scores plot showed that there was significant difference among the metabolic profile of high dose group, low dose group, positive drug group and control group. According to the results ofprincipal component analysisloading plot model, the MS/ MS data of each compound which provided greater contribution to separation of each groupwere searched from the Merlin and Massbank databases and 80 characteristic ionswere obtained. Finally, 8 compounds including 3-ethyl- 1,2-cyclopentanedione, 12-OXO-10E-dodecenoic acid, salsoline, 5R-methyl-decanoic acid, 2-hendeeenoic acid, shiromodioldiacatate, p-hydroxymexiletine, cis-1,2-diphenylcyclobutane were preliminaryilyidentified in Tibetan Medicine, demonstrating anupward trend during the first three days anda decline thereafter. This indicated the disease was probably cured through regulating metabolism process of glucose and improvingthe immunity of individuals. This work providesa new strategy for the identification of components in Tibetan Medicine and other plant medical resources.