基于LTQ-Orbitrap高分辨质谱技术的柘木化学成分分析

Analysis on Chemical Constituents from Cudrania tricuspidata Bur by LTQ-Orbitrap MS

  • 摘要: 利用UPLC-LTQ-Orbitrap MS技术对柘木提取物中的化学成分进行分析鉴定。使用反相C18色谱柱,以0.1%甲酸水溶液(A)-乙腈(B)为流动相进行梯度洗脱;在ESI离子源负离子模式下,采用全扫描方式对样品进行分析,质量扫描范围m/z 100~1000。根据高分辨质谱提供的准分子离子和碎片离子的精确质量信息,并结合相关文献数据,共鉴定出45种化学成分,包括28种黄酮类、11种占吨酮类以及6种其他类化合物。该方法可为柘木的化学成分鉴定和质量控制提供理论基础,也可为类似结构化合物的质谱裂解规律研究提供方法参考。

     

    Abstract: Cudrania tricuspidata (Carr.) Bur is a traditional Chinese medicine used in the treatment of hepatitis, rheumatism, jaundice, acne, dysmenorrhea, and chronic gastritis. The chemical components of Cudrania tricuspidata (Carr.) Bur were obtained using the traditional method of extraction and separation. In this study, single-stage mass analysis that supplied molecular weight information was developed by a linear ion trap quadrupole-Orbitrap-mass spectrometry (LTQ-Orbitrap MS) and structural information was provided by multi-stage mass analysis. LC/MS technology was used to rapidly identify the chemical components of Cudrania tricuspidata (Carr.) Bur. The chromatographic separation was performed on a C18 column (4.6 mm×150 mm×5 μm). Gradient elution of water (containing 0.1% formic acid) acetonitrile was used as the mobile phase. ESI-MS analysis was operated in the range of m/z 100-1 000 at negative ion mode. Based on the accuracy of the relative molecular mass, fragment ions, retention behavior compared to the database, a total of 45 components were identified, including 28 flavonoids, 11 xanthones and 6 other components, while 2 compounds were firstly found in Cudrania tricuspidata (Carr.) Bur. It is an effective method to provide chemical information concerning the constituents in herbal medicines, which can be helpful for the quality control and further phytochemical studies of Cudrania tricuspidata (Carr.) Bur, but the method is impossible to determine the isomers and steric structures, and some small non polar compounds can not be detected due to the lack of cleavable groups.

     

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