HPLC-DAD-ESI-MS/MS结合分子网络技术分析彭祖寿柑果肉的化学成分  

Analysis of the Chemical Components in Citrus reticulata Blanco Pulp Based on HPLC-DAD-ESI-MS/MS Combined with Molecular Network Technology

作　　者：于啊香 马嘉慕 程杰 张燕 董英 钟祥健 姚鉴玲 单东杰 吕芳 折改梅[1] YU Axiang;MA Jiamu;CHENG Jie;ZHANG Yan;DONG Ying;ZHONG Xiangjian;YAO Jianling;SHAN Dongjie;LYU Fang;SHE Gaimei(School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 100029,China;Dong-E-E-Jiao Co.Ltd.,Liaocheng 252200,China;Beijing Sihuan Pharmaceutical Co.Ltd.,Beijing 101113,China)

机构地区：[1]北京中医药大学中药学院,北京100029 [2]东阿阿胶股份有限公司,山东聊城252200 [3]北京四环制药有限公司,北京101113

出　　处：《现代食品科技》2023年第3期272-287,共16页Modern Food Science and Technology

基　　金：桂林市技术创新引导计划项目(2020010902)。

摘　　要：以彭祖寿柑(Citrus reticulata Blanco)果肉为材料,采用高效液相色谱-二极管阵列检测器-电喷雾电离质谱(HPLC-DAD-ESI-MS/MS)结合分子网络技术对果肉成分进行分析。采用Thermo Hypersil GOLD C18色谱柱(250 mm×4.6 mm,5μm),以甲醇-0.1%甲酸水为流动相进行梯度洗脱。在正负离子模式下采集质谱数据,并上传至全球天然产物社会分子网络(Global Natural Products Social Molecular Networking,GNPS)创建彭祖寿柑果肉分子网络。根据文献报道及在线数据库mzcloud、pubchem,比对二级质谱碎片信息及紫外吸收特征,排除分子网络假阳性结果,在果肉中共注释出70个成分,包括黄酮类7个、苯丙素类25个、二苯基庚烷类8个、有机酸类11个、脂肪酸类5个、氨基酸类4个、萜类4个、核苷酸类2个、生物碱类1个与其他类3个,其中8个二苯基庚烷成分和2个木脂素成分可能为其潜在的新成分。该研究将液相色谱-质谱联用技术与分子网络技术结合,能够快速、准确、较全面地注释彭祖寿柑果肉成分,为彭祖寿柑果肉进一步的开发与利用提供理论参考。The components of Citrus reticulata Blanco pulp were analyzed using high-performance liquid chromatography-diode array detector–electrospray ionization mass spectrometry(HPLC-DAD-ESI-MS/MS)combined with molecular network technology.A Thermo Hypersil GOLD C18 column(250×4.6 mm,5μm)was used for gradient elution,with methanol:0.1%formic acid aqueous solution used as the mobile phase.Mass spectrometry data were collected in positive and negative ion modes and uploaded to the Global Natural Products Social Molecular Networking(GNPS)to create a molecular network of C.reticulata pulp.The secondary mass spectrometry fragmentation information and ultraviolet absorption characteristics were compared with those reported in the literature and contained in the online databases mzcloud and pubchem.False positive results of the molecular network were excluded,resulting in the annotation of 70 pulp compounds,including 7 flavonoids,25 phenylpropanoids,8 diphenylheptane,11 organic acids,5 fatty acids,4 amino acids,4 terpenoids,2 nucleotides,and 1 alkaloid.Among these,the 8 diphenylheptane components and 2 lignan components may be newly identified components in the pulp of C.reticulata.Our findings thus indicate that a combination of liquid chromatography-mass spectrometry and molecular network technology can be used to rapidly,accurately,and comprehensively annotate components in the pulp of C.reticulata,and thereby provide a theoretical reference for further development and utilization of C.reticulata pulp.

关 键 词：彭祖寿柑果肉 高效液相色谱串联质谱 分子网络 

分 类 号：O657.63[理学—分析化学] TS255.7[理学—化学]