药学学报, 2018, 53(4): 609-620
引用本文:
于舒婷, 刘海霞, 李昆, 秦正国, 秦雪梅, 朱平, 李震宇. 采用UHPLC-Q Exactive轨道肼高分辨质谱快速识别脑震宁颗粒的化学成分[J]. 药学学报, 2018, 53(4): 609-620.
YU Shu-ting, LIU Hai-xia, LI Kun, QIN Zheng-guo, QIN Xue-mei, ZHU Ping, LI Zhen-yu. Identification of chemical constituents in Naozhenning granule by UHPLC coupled with hybrid quadrupole-orbitrap MS[J]. Acta Pharmaceutica Sinica, 2018, 53(4): 609-620.

采用UHPLC-Q Exactive轨道肼高分辨质谱快速识别脑震宁颗粒的化学成分
于舒婷1,3, 刘海霞2, 李昆2, 秦正国2, 秦雪梅1, 朱平2, 李震宇1
1. 山西大学中医药现代研究中心, 山西 太原 030006;
2. 山西振东安特生物制药有限公司, 山西 晋中 030600;
3. 山西大学化学化工学院, 山西 太原 030006
摘要:
脑震宁颗粒是由11味中药组成的复方制剂,临床主要用于治疗脑震荡、脑外伤综合征等。针对其复杂的物质组成,本研究采用UHPLC-Q Exactive轨道肼高分辨质谱建立了脑震宁颗粒化学成分的快速识别方法,通过分析色谱保留行为、精确分子质量、裂解碎片信息,结合文献及对照品数据对照,并借助Compound Discover 2.0自动指认,共鉴定出脑震宁颗粒中161个化合物,并对这些成分的来源进行了归属。所鉴定的成分包括环烯醚萜苷类9个、丁基苯酞类8个、黄酮及黄酮苷类26个、酚酸类8个、单萜苷类8个、生物碱类9个,以及有机酸、氨基酸、糖类等中药材共性成分。本研究首次对脑震宁颗粒的化学组成进行了全面表征,所构建的脑震宁化学成分物质组为其进一步的质量控制和药效物质基础研究奠定了基础。
关键词:    脑震宁颗粒      化学成分      UHPLC-Q Exactive轨道肼高分辨质谱     
Identification of chemical constituents in Naozhenning granule by UHPLC coupled with hybrid quadrupole-orbitrap MS
YU Shu-ting1,3, LIU Hai-xia2, LI Kun2, QIN Zheng-guo2, QIN Xue-mei1, ZHU Ping2, LI Zhen-yu1
1. Modern Research Center for Traditional Chinese Medicine of Shanxi University, Taiyuan 030006, China;
2. Shanxi Zhendong Ante Biological Pharmaceutical Co., Ltd., Jinzhong 030600, China;
3. College of Chemistry and Chemical Engineering of Shanxi University, Taiyuan 030006, China
Abstract:
Naozhenning granule, which is composed of 11 herbal drugs, is mainly used in the treatment of concussion, cerebral post-traumatic syndrome. As the chemical composition of Naozhenning was complex, the ultrahigh performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry was applied to identify the chemical constituents rapidly in the Naozhenning granule. By analyzing the retention behaviors, accurate molecular weight, the fragmentation pathway, and comparison with the MS data from the standards and references, as well as the automatic identification by the Compound Discover 2.0, a total of 161 compounds were identified or tentatively deduced, and the sources of constituents were also confirmed. The compounds identified in Naozhenning granule included 9 iridoids, 8 butylphthalides, 26 flavonoids and flavonoid glycosides, 8 phenolic acids, 8 monoterpenoid glycosides and 9 alkaloids, as well as the common compounds in the herbal drugs, such as organic acids, amino acids, and sugars. The chemical composition of Naozhenning was studied for the first time, which provides a scientific basis for the quality control and document of effective materials of Naozhenning granule.
Key words:    Naozhenning granule    chemical constituent    UHPLC-Q Exactive quadrupole-orbitrap MS   
收稿日期: 2017-11-30
DOI: 10.16438/j.0513-4870.2017-1190
基金项目: 山西省中药现代化振东专项基金:基于功能主治的脑震宁工艺优化和标准提升(2106ZD0404);山西省重点研发计划:山西名优中成药脑震宁颗粒大品种二次开发(201603D3113003).
通讯作者: 朱平,Tel/Fax:86-354-2467991,86-351-7018379,E-mail:zp8236@sohu.com;李震宇,E-mail:lizhenyu@sxu.edu.cn
Email: zp8236@sohu.com;lizhenyu@sxu.edu.cn
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参考文献:
[1] Xiao S, Wu FP, Zheng WM, et al. Analysis of 98 cases of craniocerebral trauma treated by Naozhenning granule[J]. J Mod Med Health (现代医药卫生), 2005, 21:1711.
[2] Shi DF, Zhang C. 66 Cases of headache after brain traumatreated by Naozhenning granule[J]. Hebei J Tradit Chin Med (河北中医), 2006, 28:358.
[3] Zhang MS, Sun DC, Gao SJ, et al. Experimental study on the pharmacodynamics of the Naozhenning granule[J]. Chin Tradit Pat Med (中成药), 1997, 19:33-34.
[4] Li J, Li XY. Determination of ferulic acid and hesperidin in Naozhenning granule by HPLC[J]. Pharm J Chin People's Lib Army (解放军药学学报), 2009, 25:264-265.
[5] Li XY, Hao SJ, Wang XD, et al. Determination of salvianolic acid B and hesperidin in the Naozhenning granule by high performance liquid chromatography[J]. China J Hosp Pharm (中国医院药学杂志), 2010, 30:1508-1510.
[6] He YQ, Lu YL, Li LS, et al. Analysis of alkaloids from dendrobiumnobile stem by UPLC-ESI-orbitrap-MS[J]. Chin J Exp Tradit Med Form (中国实验方剂学杂志), 2017, 23:30-35.
[7] Yan Y, Li Q, Qin XM, et al. Investigation of the potentially effective components of Semen Ziziphi Spinosae based on "in vitro to in vivo" translation approach[J]. Acta Pharm Sin (药学学报), 2017, 52:283-290.
[8] Yan Y, Du CH, Qin XM, et al. Integrated strategy of UHPLC-Q exactive orbitrap-HRMS and HPLC-CL to study with constituents in Ziziphi Spinosae Folium[J]. Chin Tradit Herb Drugs (中草药), 2016, 47:3109-3114.
[9] Liu HX. Comparative Study on Major Chemical Constituents and Anti-inflammatory and Hepatoprotective Activities of Ixeris chinensis (Thunb.) Nakai and Sonchus brachyotus DC (中华苦荬菜与苣荬菜主要化学成分及保肝抗炎药理作用的比较研究)[D]. Taiyuan:Shanxi University of Chinese Medicine, 2016.
[10] Hu YH, Qin XM, Liu YT, et al. Rapid identification of chemical constituents in Huangqi Jianzhong Tangby UHPLC coupled with hybrid quadrupole-orbitrap MS[J]. Acta Pharm Sin (药学学报), 2017, 52:964-970.
[11] Zhang BY, Jiang ZZ, Wang YF, et al. Analysis of chemical constituents in fresh dried and prepared Rehmanniae Radix by UPLC/ESI-Q-TOF MS[J]. Chin Tradit Pat Med (中成药), 2016, 38:1104-1108.
[12] Qian YY, Wang YL, Sa RN, et al. Metabolic fingerprinting of Angelica sinensis during growth using UPLC-TOF MS and chemometrics data analysis[J]. Chem Cent J, 2013, 7:42.
[13] Zuo AH, Cheng MC, Wang L, et al. Analysis of constituents absorbed into the brain in chuanxiong by UPLC-Q-TOF MS[J]. China J Chin Mater Med (中国中药杂志), 2012, 37:3647-3650.
[14] Zhang L, Zhou J, Zhu W, et al. Comparative study on chemical constituents in Pericarpium Citri Reticulatae, citrus peels and fermented Citrus peels by HPLC-DAD-ESI-MSn and GC-MS[J]. Food Ferment Ind (食品与发酵工业), 2013, 39:192-199.
[15] Zhang FX, Li M, Qiao LR, et al. Rapid characterization of Ziziphi Spinosae Semen by UPLC/Qt of MS with novel informatics platform and its application in evaluation of two seeds from Ziziphus species[J]. J Pharm Biomed Anal, 2016, 122:59-80.
[16] Wang WJ, Luo JG, Kong LY. Analysis of the chemical constituentsin Ziziphi Spinosae Semen by HPLC-ESI-MSn[J]. China J Chin Mater Med (中国中药杂志), 2009, 34:2769-2773.
[17] Hu YF, Pei YM, Wu H, et al. Difference analysis of chemical compositions in Moutan Cortex from different origins by UPLC-Q-TOF-MS[J]. Chin Tradit Herb Drugs (中草药), 2016, 47:2984-2991.
[18] Su SL, Cui WX, Zhou W, et al. Chemical fingerprinting and quantitative constituent analysis of Siwu decoction categorized formulae by UPLC-QTOF/MS/MS and HPLC-DAD[J]. Chin Med, 2013, 8:5.
[19] Zhu YX, Chen LL, Gong JR, et al. Analysis of the chemical constituents in Suanzaoren Tang by LC-Q-TOF-MS and LC-IT-MS[J]. China J Chin Mater Med (中国中药杂志), 2014, 39:457-465.
[20] Wang H, Wang Q. ESI-MSn performance and LC-MSn fingerprint of salvianolic acid constituents from Radix et Salviae Miltiorrihizae[J]. Chin Arch Tradit Chin Med (中华中医药学刊), 2007, 25:1387-1389.
[21] Qi XX, Dong Y, Shan CX, et al. Analysis of the main components in herbal pair:Astragali Radix and Salviae Miltiorrhizae by UFLC-Q-TOF/MS[J]. J Univ Tradit Chin Med (南京中医药大学学报), 2017, 33:93-96.
[22] Zhang Y, Dong WT, Huo JH, et al. Analysis on chemical constituents of Pheretima aspergillum by UPLC-Q-TOF-MS[J]. Chin Tradit Herb Drugs (中草药), 2017, 48:252-262.
[23] Li R. Studies on the Quality Standard of Huang Qi Extract and the Chemical Constituents of CiZhuRu (中药黄芪提取物质量标准及慈竹茹的化学成分研究)[D]. Chengdu:Chengdu Institute of Biology, Chinese Academy of Sciences, 2015.
[24] Xu WYJ, Lian HY, Liang QD, et al. Chemical comparison between decoctions of Angelicae Sinensis Radix and chuanxiong Rhizoma by UPLC-QTOF-MS[J]. Pharm J Chin People's Lib Army (解放军药学学报), 2015, 31:4-9.
[25] Ma L, Huang XF, Ou YH, et al. Identification of chemical composition in Pericarpium Citri Reticulatae by UHPLC/Q-TOF-MS/MS[J]. Asia-Pac Tradit Chin Med (亚太传统医药), 2015, 11:33-37.
[26] Sun LJ. Research on the chemical constituents of cypress kernels[J]. J Hebei Norm Univ (河北师范大学学报), 2001, 25:217-218.
[27] Kang A, Guo JR, Xie T, et al. Analysis of the triterpenes in Poria cocos by UPLC-LTQ-Orbitrap[J]. J Nanjing Univ Tradit Chin Med (南京中医药大学学报), 2014, 30:561-565.
[28] Zhu M, Xiong L, Wang YN, et al. Analysis of the lignans in Sinocalamus affinis[J]. China J Chin Mater Med (中国中药杂志), 2012,37:1968-1972.
[29] Yao XB. Study on Triterpenoids from Bamboo Bark (竹茹中三萜类化合物的研究)[D]. Hangzhou:Zhejiang University, 2004.
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