UPLC-Q-TOF-MS^E技术结合UNIFI筛查平台快速分析刺梨籽中化学成分  

Rapid Identification of Chemical Constituents in the Seed of Rosa roxburghii by UPLC-Q-TOF-MS^E Combined with UNIFI Informatics Platform

作　　者：李剑豪 杨天歌 张娜[1] 孙玉杰 曲玉霞 曹一佳 林宏英[1] 陶欧[1] LI Jian-hao;YANG Tian-ge;ZHANG Na;SUN Yu-jie;QU Yu-xia;CAO Yi-jia;LIN Hong-ying;TAO Ou(School of Chinese Materia Medica,Beijing University of Traditional Chinese Medicine,Beijing 100102,China)

机构地区：[1]北京中医药大学中药学院

出　　处：《质谱学报》2020年第1期76-86,I0003,共12页Journal of Chinese Mass Spectrometry Society

基　　金：北京中医药大学青年教师项目(2018-JYB-JS-021)资助

摘　　要：采用超高效液相色谱-四极杆飞行时间质谱(UPLC-Q-TOF-MS E)联用技术结合UNIFI筛查平台对刺梨籽提取物的化学成分进行分析鉴定。利用UPLC-Q-TOF-MS E技术采集刺梨籽甲醇提取物乙酸乙酯部位的质谱数据,并通过UNIFI筛查平台结合各化合物的相对保留时间、精确分子质量、分子式、特征性碎片离子以及相关文献数据,共鉴定出刺梨籽提取物中的55种化合物,包括19种黄酮和36种三萜类化合物。该方法可为进一步研究刺梨籽的药效物质基础及其作用机制提供数据支持。The seed of Rosa roxburghii is the seed of the roxburgh rose fruit,which has obvious antioxidant,anti-inflammatory,hypoglycemic,hepatoprotective and anticancer functions.And the seed of R.roxburghii has outstanding biological activity,but the active ingredients are unclear.Ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS E)was widely used for separation and identification of chemical components from traditional Chinese medicine.The UNIFI screening platform can automatically match the theoretical fragment and mass fragment information of the compound in the database,and obtain the identification results.Therefore,UPLC-Q-TOF-MS E technology combined with UNIFI screening platform was used to analyze and identify the chemical components of the roxburgh rose seed.The chromatographic separation was performed on a Acquity BEH C18 column(100 mm×2.1 mm×1.7μm).Gradient elution was carried out with 0.1%formic acid solution(A)and acetonitrile(B)as the mobile phase.The column temperature was 40℃,the sample chamber temperature was 10℃,the flow rate was 0.3 mL/min,and the injection volume was 2μL.The UNIFI screening platform automatically matched the theoretical fragment and mass fragment information of the compound in the database,and the identification results were obtained.Based on the accuracy of the relative molecular mass,fragment ions,retention behavior,and compared to the database,a total of 55 components were putatively identified,including 19 flavonoids,36 triterpenes.This established method lays a foundation for further study of seed of R.roxburghii.

关 键 词：刺梨籽 超高效液相色谱-四极杆飞行时间质谱(UPLC-Q-TOF-MS E) UNIFI 特征性碎片离子 化合物鉴定 

分 类 号：O657.63[理学—分析化学]