新疆医科大学学报

目的 采用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱(UPLC-QE-Orbitrap-MS/MS)技术分析新疆鼠尾草乙酸乙酯提取物(Ethyl acetate extraction of Salvia deserta Schang, SDS-EE)的化学成分及入血成分。方法 新疆鼠尾草根加20倍量95%乙醇，85℃回流提取3次，每次2.5 h,浓缩得醇提浸膏，加水混悬后，再加等比例的乙酸乙酯萃取5次即得SDS-EE。取SD大鼠12只，随机分成空白组和给药组，每组6只。给药组灌胃给予SDS-EE溶液160 mg·kg^-1·d^-1,空白组灌胃给予相同体积0.5%CMC-Na溶液，连续给药20 d。采用三氯化铁诱导建立SD大鼠血栓模型，腹主动脉取血并收集血清样品。采用ACQUITY UPLC BEH C₁₈色谱柱(2.1 mm×100 mm, 1.7μm),以0.1%甲酸乙腈溶液(A)-0.1%甲酸水溶液(B)为流动相进行梯度洗脱，流速0.5 mL/min,进样量5μL,采用UPLC-QE-Orbitrap-MS/MS技术，利用Orbitrap Exploris 120质谱，在正、负离子两种模式下获取SDS-EE和血清样品中化合物的相对分子质量、二级质谱裂解碎片离子信息和保留时间，结合相关文献、对照品比对和数据库信息，分析鉴定SDS-EE和吸收入血的化学成分。结果 从SDS-EE中共鉴定出52个化合物，包括7个苯丙素类、3个香豆素类、12个萜类、7个酚酸类、3个醌类、5个醛类、5个黄酮类、9个有机酸类和1个其它类。鉴定出入血成分11个，其中9个为原型成分，2个是代谢产物，其主要代谢途径为氧化反应。结论 通过UPLC-QE-Orbitrap-MS/MS技术快速分析了新疆鼠尾草SES-EE的化学成分及入血成分。

Objective To analyze the chemical components and blood constituents of the ethyl acetate extractionof Salvia deserta Schang(SDS-EE) using ultra-high-performance liquid chromatography combined with quadrupole-electrostatic field orbitrap high-resolution tandem mass spectrometry(UPLC-QE-Orbitrap-MS/MS) technology. Methods The Salvia deserta Schang root was extracted with 20 volumes of 95% ethanol, refluxed at 85℃ for 3 periods of 2.5 hours each, concentrated to obtain the alcohol-extracted extract, mixed with water and then extracted with an equal proportion of ethyl acetate for 5 periods to obtain the SDS-EE. A total of 12 SD rats were randomly assigned to 2 groups: the blank group and the drug-administered group, with 6 rats in each. The drug group was administered 160 mg·kg^-1·d^-1 of SDS-EE solution via gavage, while the blank group received an equivalent volume of 0.5% CMC-Na solution via gavage for a 20-day period. A thrombus model was constructed in SD rats using ferric trichloride, and blood samples were collected from the abdominal aorta, along with serum samples. An ACQUITY UPLC BEH C₁₈ column(2.1 mm×100 mm, 1.7 μm) was used for gradient elution with 0.1% formic acid acetonitrile solution(A)-0.1% formic acid aqueous solution(B) as the mobile phase, at a flow rate of 0.5 mL/min with an injection volume of 5 μL. Utilizing UPLC-QE-Orbitrap-MS/MS technology with the Orbitrap Exploris 120 mass spectrometer, the relative molecular masses, secondary mass spectrometry fragmentation ion information, and retention times of the compounds in SDS-EE and serum samples were obtained in both positive and negative ion modes. By combining relevant literature, reference substance comparison, and database information, the chemical constituents of SDS-EE and those absorbed into the blood were analyzed and identified. Results A total of 52 compounds were identified from SDS-EE, including 7 phenylpropanoids, 3 coumarins, 12 terpenoids, 7 phenolic acids, 3 quinones, 5 aldehydes, 5 flavonoids, 9 organic acids and 1 other class. 11 blood-borne components were identified, of which 9 were prototype components and 2 were metabolites, with the main metabolic pathways being oxidation reactions. Conclusion The chemical composition and blood components of SES-EE from Xinjiang sage were rapidly analyzed using UPLC-QE Orbitrap MS/MS technology.