UPLC-QTOF-MS 结合主成分分析法考察胡芦巴盐制前后的化学成分差异  

Investigation on chemical composition difference of Trigonella foenum-graecum L. before and after salt processing by UPLC-QTOF-MS combined with principal component analysis method

作　　者：王祎 刘颖[1] 叶斌斌[1] 郑彧[1] WANG Yi;LIU Ying;YE Binbin;ZHENG Yu(College of Pharmacy,Liaoning University of Traditional Chinese Medicine,Dalian 116600,China)

机构地区：[1]辽宁中医药大学药学院,辽宁大连116600

出　　处：《药学研究》2022年第12期786-790,共5页Journal of Pharmaceutical Research

基　　金：“兴辽英才计划”科技创新领军人才(No.XLYC2002004)。

摘　　要：目的 利用超高效液相-四极杆-飞行时间串联质谱(UPLC-QTOF-MS)结合多元统计分析筛选并鉴定胡芦巴和盐胡芦巴的差异性成分。方法 采用C_(18)反相色谱柱0.5%乙酸-乙腈梯度洗脱,在正离子模式下采集质谱数据,应用Simca-P等软件进行主成分分析(PCA)和偏最小二乘判别分析(PLS-DA),筛选胡芦巴与盐胡芦巴的差异性成分。通过质谱提供的精确分子量、碎片离子并结合文献数据鉴定偏最小二乘判别分析中VIP值>1.5的差异性成分的结构。结果 利用准分子离子、二级质谱图、特征碎片离子及其他碎片离子等信息,并参考相关文献报道鉴定了胡芦巴与盐胡芦巴中的24个差异性成分,其中包括7个黄酮碳苷类化合物,15个甾体皂苷类化合物以及1个生物碱类化合物即胡芦巴碱和1个脂肪族化合物即亚麻酸乙酯。通过比较各化合物在胡芦巴和盐胡芦巴样品的质谱中的响应值,盐制后黄酮碳苷类成分响应升高,甾体皂苷中的呋甾烷醇型甾体皂苷响应降低,而螺甾烷醇型/异螺甾烷醇型甾体皂苷响应升高。结论 盐制促进了胡芦巴中黄酮碳苷类成分的溶出,并使胡芦巴中皂苷类成分发生了结构转化。Objective To screen and identify the differential components of Trigonella foenum-graecum L.and its salt-processed products using ultra-high performance liquid phase-quadrupole-time-of-flight tandem mass spectrometry(UPLC-QTOF-MS) combined with multivariate statistical analysis.Methods The gradient elution of 0.5% acetic acid-acetonitrile on a C_(18)reversed-phase chromatographic column was used to collect mass spectrometry data in positive ion mode.Simca-P and other software were used to perform principal component analysis(PCA) and partial least squares discriminant analysis(PLS-DA),screening the difference components of fenugreek and its salt-processed products.The structures of differential components with VIP values >1.5 in PLS-DA analysis were identified by the accurate molecular weights, fragment ions provided by mass spectrometry and in combination with literature data.Results Using information such as quasi-molecular ions, MS spectra, characteristic fragment ions and other fragment ions, and referring to relevant literature reports, 24 different components of fenugreek and its salt-processed products were identified, including 7 flavonoid carbons glycosides, 15 steroidal saponins, 1 alkaloid, trigonelline, and 1 aliphatic compound, ethyl linolenic acid.By comparing the response values of each compound in the mass spectrometry of fenugreek and its salt-processed products, the response of flavonoid carbon glycosides increased after salt-processing, and the response of furostanol-type steroidal saponins in steroidal saponins decreased, while spirostanol-type/isospirostanol-type steroidal saponin response increased.Conclusion Salt-processing promotes the dissolution of flavonoid carbon glycosides in fenugreek, and makes the structure transformation of saponins in fenugreek.

关 键 词：胡芦巴 盐制 超高效液相-四级杆-飞行时间串联质谱 主成分分析 

分 类 号：R284.1[医药卫生—中药学]