目的:建立天南星中化学成分快速表征的分析方法,并用于该药材的质量控制.方法:采用超高效液相色谱联用四级杆串联飞行时间质谱(UPLC-Q-TOF/MS)结合UNIFI质谱数据分析平台,选择 Waters Acquity UPLC HSS T3 C18色谱柱,以0.1％甲酸水和0.1％甲酸乙腈为流动相进行梯度洗脱,流速为0.35mL/min,进样量5μL;选择电喷雾离子源,以MSE模式采集正、负离子下天南星化学成分的质谱数据;通过UNIFI平台自带数据库结合文献检索建立天南星化学成分数据库,并根据化合物的精准分子质量、二级碎片离子信息及与对照品和文献数据等比对进化学成分的鉴定.结果:在正离子模式下鉴定出49个化合物,负离子模式下鉴定16个化合物,主要以有机酸、氨基酸及黄酮苷类化合物为主.其中,35个化合物可能首次从天南星中发现.结论:采用UPLC-Q-TOF/MS结合UNIFI平台的分析方法可快速鉴定天南星的化学成分,该研究结果可为天南星药效物质基础的研究以及质量控制体系建立和产品开发等提供科学依据.
Rapid Identification of Chemical Constituents in Rhizoma Arisaematis by UPLC-Q-TOF/MSE Combined with UNIFI Platform
Objective:To establish an analytical method for rapid characterization of chemical constituents in Arisaema-tis Rhizoma which could be apply to control the quality of the medicinal.Methods:Ultra-high performance liquid chro-matography coupled with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF/MS)combined with UNIFI mass spectrometry data analysis platform was used.Waters Acquity UPLC HSS T3 C18 chromatographic column was selected,and 0.1％formic acid water and 0.1％formic acid acetonitrile were used as mobile phases for gradient elu-tion.The flow rate was 0.35mL/min and the injection volume was 5 μL.Electrospray ionization was used to collect the mass spectrometry data of the chemical constituents of Arisaematis Rhizoma in positive and negative ions as MSE mode.Then,the chemical composition database of Arisaematis Rhizoma was established by the database of UNIFI plat-form combined with literature retrieval,and the chemical composition was identified according to the accurate molecular weight of the compound,the secondary fragment ion information and the comparison with the reference substance and the literature data.Results:In the positive ion mode,49 compounds were identified,and 16 compounds were identified in the negative ion mode,mainly organic acids,amino acids and flavonoid glycosides.Among them,35 compounds may be found fromn Arisaematis Rhizoma for the first time.Conclusion:UPLC-Q-TOF/MS combined with UNIFI platform can be used to quickly identify the chemical constituents of Arisaematis Rhizoma.The results of this study provide a scien-tific basis for the study of the effective material basis of Arisaematis Rhizoma.It also could supply the establishment of quality control system and product development for Arisaematis Rhizoma.
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