Comparative analysis of constitutes and metabolites for traditional Chinese medicine using IDA and SWATH data acquisition modes on LC-Q-TOF MS

Publication date: Available online 19 November 2019Source: Journal of Pharmaceutical AnalysisAuthor(s): Dian Kang, Qingqing Ding, Yangfan Xu, Xiaoxi Yin, Huimin Guo, Tengjie Yu, He Wang, Wenshuo Xu, Guangji Wang, Yan LiangAbstractIdentification of components and metabolites of traditional Chinese medicines (TCMs) employing liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-QTOF MS) techniques with information-dependent acquisition (IDA) approaches is more and more frequent. A current drawback of IDA-MS is that the complexity of a sample might prevent important compounds from being triggered in IDA settings. Sequential window acquisition of all theoretical fragment-ion spectra (SWATH) is a data-independent acquisition method where the instrument deterministically fragments all precursor ions within the predefined m/z range in a systematic and unbiased fashion. Herein, the superiority of SWATH on the detection of TCMs’ components was firstly investigated by comparing the detection efficiency of SWATH-MS and IDA-MS data acquisition modes, and Sanguisorbin Extract was used as a mode TCM. After optimizing the setting parameters of SWATH, rolling collision energy (CE) and variable Q1 isolation windows were found to be more efficient for sanguisorbin identification than the fixed CE and fixed Q1 isolation window. More importantly, the qualitative efficiency of SWATH-MS on sanguisorbins was found significantly higher than that of IDA-MS data acquisition. In IDA m...
Source: Journal of Pharmaceutical Analysis - Category: Drugs & Pharmacology Source Type: research