基于UPLC-Q-TOF-MS/MS的沉香2-(2-苯乙基)色酮聚合物成分分析

Analysis of Polymeric 2-(2-Phenylethyl)Chromones from the Agar-wood by UPLC-Q-TOF-MS/MS

为了明确沉香(Aquilaria spp.)药材中2-(2-苯乙基)色酮聚合物(PPECs)组分及其结构,本研究采用超高效液相色谱-串联四级杆-飞行时间质谱法(UPLC-Q-TOF-MS/MS)采集沉香样品一级与二级质谱图,对PPECs的质谱裂解途径进行分析,对沉香药材中PPECs组分进行筛查与结构确证。共鉴定出PPECs组分55个,根据结构特征,55个组分分属于3种结构类型,即2-(2-苯乙基)色酮二聚物(DPECs)、2-(2-苯乙基)色酮三聚物(TPECs)和萜类-2-(2-苯乙基)色酮二聚物(SPECs)。鉴定的全部组分包括44个DPECs、3个TPECs和8个SPECs,其中9个DPECs、1个TPECs和1个SPECs首次在沉香中被发现;其次,沉香PPECs的部分组分具有2~4个同分异构体。综上,沉香药材中PPECs组分及其同分异构体丰富,且DPECs类型的组分在总PPECs中所占比例最高(80%)。该研究结果可为沉香药效物质基础研究及开发利用提供参考。

In order to explore the polymeric 2-(2-phenylethyl)chromones(PPECs)components and the structures from agarwood(Aquilaria spp.),ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass/mass spectrometry(UPLC-Q-TOF-MS)was used to acquire the spectrum of TOF-MS and TOF-MS/MS of agarwood samples.The fragmentation pathway of PPECs was analyzed.The screening and structure confirmation of PPECs from agarwood was performed.A total of 55 PPECs components were identified.According to the structural characteristics,55 compo-nents were grouped into three types,including dimeric 2-(2-phenylethyl)chromones(DPECs),trimeric 2-(2-phenylethyl)chromones(TPECs)and sesquiterpenoid-2-(2-phenylethyl)chromones(SPECs).All identified components were con-sisted of 44 DPECs,3 TPECs and 8 SPECs,of which nine DPECs,one TPECs and one SPECs were firstly identified in agarwood.Furthermore,2–4 isomers were observed for some PPECs components from agarwood.The results showed that agarwood were rich in PPECs components and the corresponding isomers.Meanwhile,the proportion of DPECs was the highest(80%)among total PPECs.The results could provide reference for the study of material basis of phar-macodynamics effect and utilization of agarwod.