基于UPLC-Q-TOF-MS/MS技术分析青海省不同地域川贝母化学成分的差异

Analysis of Chemical Composition Differences in F.cirrhosa.D.Don from DifferentRegions in Qinghai Province by UPLC-Q-TOF-MS/MS Technology

关键词:  关键词：川贝母  超高效液相色谱-四极杆-飞行时间质谱法  化学成分  生物碱  脂肪酸  核苷  差异化合物

Key words:  Key words: F.cirrhosa.D.Don  UPLC-Q-TOF-MS/MS  chemical composition  alkaloids  fatty acids  nucleosides  differential compounds

摘要:

目的 采用UPLC-Q-TOF-MS/MS技术分析青海省不同地域川贝母的化学成分；完成青海省不同地域川贝母化学成分的差异及鉴定分析。方法 色谱柱为Waters ACQUITY UPLC HSS T3（100×2.1mm 1.8μm），以 0.1% 甲酸水溶液（A）-0.01%乙腈（B）梯度洗脱，体积流量0.3mL/min，柱温40℃，进样量1 μL；采用电喷雾离子源（ESI），正离子模式下采集数据，对比化学成分的裂解规律，结合精确相对分子量、一二级质谱信息、文献信息和PubMed，PubChem，MassBankd等数据库，完成川贝母全化学成分的分析；通过主成分分析（PCA）和正交偏最小二乘法-判别（OPLS-DA）系统表征青海省不同地域川贝母的分组趋势、相关性和差异性化学成分。结果 共鉴定出54种化学成分，其中生物碱类成分32个，脂肪酸类成分8个，核苷类成分5个，糖类成分1个，恶唑烷类成分1个，酰胺类成分1个，未鉴定成分6个，18个化合物首次在贝母属得到鉴定；通过OPLS-DA分析得到腺苷、梭砂贝母碱、垂茄次碱苷、异浙贝甲素、科迪林、湖贝嗪、鄂贝定碱共7个差异化合物。结论 川贝母化学成分丰富，具有良好的药理活性；两种地域川贝母的差异成分相似，但含量不同，主要集中在生物碱类成分，表明玉树州野生川贝母的品质可能优于果洛州；为青藏高原野生川贝母的质量控制、资源保护及药效物质基础研究提供了参考和科学依据。

Abstract:

OBJECTIVE TO analyzing the chemical composition of F.cirrhosa.D.Don from different regions in Qinghai Province using UPLC-Q-TOF-MS/MS technology, and completing the identification and analysis of differences in their chemical compositions. METHODS The chromatographic column used was Waters ACQUITY UPLC HSS T3 (100×2.1 mm, 1.8 μm) with gradient elution of 0.1% formic acid aqueous solution (A) and 0.01% acetonitrile (B) at a flow rate of 0.3 mL/min, column temperature at 40℃, and injection volume of 1 μL. The data was collected under positive ion mode with electrospray ionization (ESI) and analyzed to reveal the complete chemical composition of F.cirrhosa.D.Don. The fragmentation patterns were compared, and the precise relative molecular weight, first and second mass spectrometry information, as well as relevant literature and databases such as PubMed, PubChem, and MassBankd were used to analyze the chemical composition of F.cirrhosa.D.Don. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA) were employed to systematically characterize the grouping trends, correlations, and differential chemical compositions of F.cirrhosa.D.Don from different regions in Qinghai Province. RESULTS A total of 54 chemical components were identified, including 32 alkaloids (including 9 steroid alkaloids and 23 isossteroid alkaloids), 8 fatty acid components, 5 nucleoside components, 1 sugar component, 1 oxazolidin, 1 amide component, 6 unidentified ingredients, of which 5 compounds were confirmed by control comparison, and 18 compounds were identified for the first time in this genus; adenosine, clossandine, solanine, isozosine, codilin, There are 7 different compounds of lake shellazine and ebedinine. CONCLUSION F.cirrhosa.D.Don is rich in chemical components and exhibits promising pharmacological activities; The differential constituents of F.cirrhosa.D.Don from the two regions are similar, but their quantities differ, primarily concentrating on alkaloid compounds. This suggests that the wild F.cirrhosa.D.Don from Yushu Tibetan Autonomous Prefecture may have superior quality compared to that from Guoluo Tibetan Autonomous Prefecture; scientific basis for quality control, conservation of wild resources, and research on the pharmacological substances of F.cirrhosa.D.Don in Qinghai Province.