凤凰雪茶是一种药食两用植物,具有较大的应用开发价值,本研究拟采用超高效液相色谱-四极杆-飞行时间串联质谱技术(ultra performance liquid chromatography-quadrupole-time of flight tandem mass spectrometry,UPLC-Q-TOF-MS/MS)联和全球天然产物交互分子网络(global natural products social molecular networking,GNPS)技术对凤凰雪茶的化学成分进行快速分析鉴定.在正、负离子模式下采集质谱数据,通过软件分析、数据库匹配、对照品比对等鉴别出相应化合物,并根据MS/MS碎片的相似性创建分子网络.从凤凰雪茶中共鉴定出58个化学成分,主要包括33个黄酮类、11个酚类、4个生物碱类、3个三萜类和其他类化合物.原儿茶酸-4-葡萄糖苷、杨梅素-3-芸香糖苷、积雪草酸等32个化合物首次在葡萄科蛇葡萄属得到鉴定,并进一步探讨了各类别化合物的质谱裂解规律以及黄酮类网络节点的关联分析.本研究运用液质联用结合GNPS技术可以快速实现对凤凰雪茶的成分的系统性分析,为其探究临床应用、质量控制及药效物质基础提供参考.
Chemical composition analysis of Fenghuang Xuecha based on UPLC-Q-TOF-MS/MS coupled with GNPS
Fenghuang Xuecha is a Chinese herbal used for medicinal and dietary purposes,which has great development val-ue.Ultra performance liquid chromatography-quadrupole-time of flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS)coupled with global natural products social molecular networking(GNPS)were used to analysis and identify the chemical components of Fenghuang Xuecha leaves rapidly.The mass spectrometry data were collected by positive and negative ion modes,the chemical components were identified through software analysising,database matching,reference materials compa-ring and so on,and created the molecular network based on the similarity of the MS/MS fragments.A total of Fifty eight com-ponents in Fenghuang Xuecha leaves,the main chemical constituents included 33 flavonoids,11 phenols,four alkaloids,three triterpenoids and other compounds.Thirty-two compounds were identified for the first time in the genus,such as protocatechuic acid-4-glucoside,myricetin-3-rutinoside,asiatic acid and so on.Meanwhile,the mass fragmentation pattern of each category of compound and the nodes of the flavonoid network correlation analysis were further explored.In this study,LC-MS combined with GNPS could systematic analysis and quickly acquire the ingredients of Fenghuang Xuecha,which will provid reference for its clinical application,quality control and pharmacological material basis.
Fenghuang Xuechaglobal natural products social molecular networkingUPLC-MS/MSfragmentation patternflavonoids
万方数据
维普
