质谱学报2004，Vol.25Issue(4)：209-216,224,9.
直接输注电喷雾电离四极杆飞行时间质谱在十六种中药来源化合物定性分析中的应用
Application of Direct Infusion Electrospray Ionization Quadrupole Time-of-Flight Mass Spectrometry in Qualitative Analysis of Sixteen Compounds From Traditional Chinese Medicine
摘要
Abstract
Direct infusion (DI) electrospray ionization quadrupole time-of-flight (Q-TOF) mass spectrometry was applied to analysis sixteen compounds from traditional Chinese medicines (TCMs). Characteristics of these compounds in electrospray ionization mass spectrometry (ESI-MS) and in MS/MS were observed to know the differences of ionization capacity and dissociation characteristics of structurally different compounds. The observation indicated that in order to maximize numbers of constituents detected, it is necessary to analyze sample in both positive and negative mode. The existence of carbonyl group in structure seems to be a factor that favors the formation of quasi-molecular ion (QMI) or other adduct molecular ion (OAMI) in positive mode. When cone voltage was 30V, most compounds could form mass spectral peaks of QMIs or OAMIs. However, in-source collision-induced dissociation (CID) seemed unable to be completely avoided by altering cone voltage. Analysis was recommended at three different cone voltages of 10V, 30V and 50V. MS/MS was proved to be an effective way to obtain additional structural information because fragment ions were observed for all QMIs and OAMIs in MS/MS. The developed method has been successfully applied in our study on Si-Wu-Tang. The method is useful for quick qualitative analysis of constituents in mixture samples of TCM.关键词
中药/电喷雾电离/直接输注/飞行时间/定性分析Key words
traditional Chinese medicine/electrospray ionization/direct infusion/time-of-flight/qualitative analysis分类
化学化工引用本文复制引用
梁乾德,王红霞,李卫华,魏开华,马百平,王升启..直接输注电喷雾电离四极杆飞行时间质谱在十六种中药来源化合物定性分析中的应用[J].质谱学报,2004,25(4):209-216,224,9.基金项目
Supported by the National Nature Science Foundation of China (30271617 （）
30070913) and Beijing Science and Technology Commission Project (H010210220113) （H010210220113）
