基于超快速液相-串联四极杆飞行时间高分辨质谱技术分析不同产地玄参化学成分的差异
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摘要
目的分析不同产地玄参中化学成分的差异。方法采用超快速液相-串联四极杆飞行时间高分辨质谱(UFLC-Triple TOF-MS/MS)技术对不同产地12批样品进行测定,通过多级串联质谱分析,对其质谱数据进行峰匹配、峰对齐、滤噪处理等进行特征峰提取;用主成分分析(PCA)和正交偏最小二乘法-判别分析(OPLS-DA)进行数据处理;通过一级质谱精确质荷比和二级质谱碎片信息,结合软件数据库搜索及相关文献进行成分鉴别。结果不同产地玄参样品间的化学组成得到明显区分;初步筛选并鉴定出不同产地玄参间36种差异显著的化学成分,且11种共有差异化学成分呈现不同的变化规律。结论为揭示生态环境对玄参代谢物合成积累的影响规律提供基础资料。
OBJECTIVE To analyze the difference of chemical constituents in Scrophulariae Radix from different areas by UFLC-Triple TOF-MS/MS. METHODS Through analysis of the multistage tandem mass spectra,the characteristic peaks were extracted with mass spectrometry data peak matching,peak alignment,and noise filtering. Principal component analysis( PCA)and orthogonal partial least-squares discriminant analysis( OPLS-DA) were used for data processing. The constituents were identified according to MS accurate mass and MS/MS spectrometry fragmentation information,combined with the software of database search and literature. RESULTS The chemical constituents in Scrophulariae Radix from different areas were clearly distinguished. Thirty-six chemical constituents were indentified as differential compounds. Among them,there were 11 kinds of common differential chemical constituents,i. e.,caffeic acid,aucubin,5-hydroxymethylfurfural,harpagide,6-O-methylcatapol,verbascoside,p-coumaric acid,ningpogenin,6 ″-O-feruloylharpagide,sibirioside A,and harpagoside. CONCLUSION This study provides experimental data to reveal the influence of ecological environment and genetic variation on metabolite biosynthesis of Scrophulariae Radix.
OBJECTIVE To analyze the difference of chemical constituents in Scrophulariae Radix from different areas by UFLC-Triple TOF-MS/MS. METHODS Through analysis of the multistage tandem mass spectra,the characteristic peaks were extracted with mass spectrometry data peak matching,peak alignment,and noise filtering. Principal component analysis( PCA)and orthogonal partial least-squares discriminant analysis( OPLS-DA) were used for data processing. The constituents were identified according to MS accurate mass and MS/MS spectrometry fragmentation information,combined with the software of database search and literature. RESULTS The chemical constituents in Scrophulariae Radix from different areas were clearly distinguished. Thirty-six chemical constituents were indentified as differential compounds. Among them,there were 11 kinds of common differential chemical constituents,i. e.,caffeic acid,aucubin,5-hydroxymethylfurfural,harpagide,6-O-methylcatapol,verbascoside,p-coumaric acid,ningpogenin,6 ″-O-feruloylharpagide,sibirioside A,and harpagoside. CONCLUSION This study provides experimental data to reveal the influence of ecological environment and genetic variation on metabolite biosynthesis of Scrophulariae Radix.
引文
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[2]YAN Y C,ZHANG L P,HUANG H,et al.Adaptability analysis of GAP production based of the origin of Scrophularia ningpoensis in Enshi[J].Asia-Pacific Tradi Med(亚太传统医药),2009,5(9):57-59.
[3]XING Z J.The evolution of the Chinese herbal medicine planting industry and development[J].Mod Chin Med(中国现代中药),2011,13(5):53-55.
[4]QIX C,ZHANGH Y,LIANG Q L,et al.LC-MS technology and the application in metabolomics research[J].Chin Tradit Pat Med(中成药),2009,31(1):106-112.
[5]ZHANG Y B,XU W,YANG X W,et al.Simultaneous determination of nine constituents in the roots and rhizomes of Glycyrrhiza uralensis from different producing areas by RP-HPLC[J].Chin JPharm Anal(药物分析杂志),2013,33(2):214-219.
[6]LIANG J,LIU X H,REN Y,et al.Simultaneous determination of five compounds in Radix Astragali byhigh-performance liquid chromatography coupled with diode arryandevaporative light scattering detectors[J].Chin J Pharm Anal(药物分析杂志),2013,33(2):210-213.
[7]LIU Q,LI X F,LIANG Y,et al.Chemical characterization of Jinming tablet by HPLC-DAD/ELSD-ESI-TOF/MS and study on the multi index quantitative fingerprint[J].Chin Pharm J(中国药学杂志),2018,53(13):1057-1062.
[8]LIAN H Y,XU W Y J,LIANG Q D,et al.Chemical comparison between decoctions of Radix Paeoniae Rubra and Radix Paeoniae Alba by UPLC-QTOF-MS[J].J Chin Mass Sprctrom Soc(质谱学报),2014,35(3):269-278.
[9]ZHANG J,ZHAN Y Z,LI X Z,et al.Non-targeted metabolite profiling for quality evaluation of Glechoma longituba from different geographical rigins by UPLC/QTOF-MSEcombined with chemometrics methods[J].Chin Pharm J(中国药学杂志),2018,53(12):1003-1010.
[10]ZHANG Y Z.Principal component analysis of Baihuasheshecao injection by UPLC-QTOF-MS[J].Chin Tradit Herb Drugs(中草药),2013,44(7):829-833.
[11]LI F,WANG Y G,YANG L,et al.Regularity of Toxic alkaloids during the combination of Veratrum nigrum and Salvia miltiorrhiza by UPLC-Q-TOF/MS[J].Acta Chim Sin,2012,70(21):2257-2264.
[12]CHEN Y H,QI J,HUA J,et al.Structural characterization and identification of major constituents in Radix Scrophulariae by HPLC coupled with electrospray ionization quadrupole time-offlight tandem mass spectrometry[J].Chin J Nat Med(中国天然药物),2014,12(1):47-54.
[13]WU Q,YUAN Q,LIU E H,et al.Fragmentation study of iridoid glycosides and phenylpropanoid glycosides in Radix Scrophulariae by rapid resolution liquid chromatography with diode-array detection and electrospray ionization time-of-flight mass spectrometry[J].Biomed Chromatogr,2010,24(8):808-819.
[14]JING J,CHAN C,XU L J,et al.Development of an in-line HPLC fingerprint ion-trap mass spectrometric method for identification and quality control of Radix Scrophulariae[J].J Pharm Biomed Anal,2011,56(4):830-835.
[15]LI K P,GAO C K,LI W M.Analysis of coumarins in extract of Cnidium monnieri by UPLC/ESI-TOF-MS/MS[J].Chin Tradit Pat Med(中成药),2009,31(4):584-587.
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