School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing, P. R. China.
J Sep Sci. 2019 Oct;42(19):3152-3160. doi: 10.1002/jssc.201900172. Epub 2019 Aug 8.
How to identify the traces with weak response and poor mass spectrometry data is still a barrier to comprehensively characterize chemical constituents of traditional Chinese medicine formula. Thus, we took Kangfuxiaoyanshuan as a carrier to perform a method toward these weak response constituents in mass spectra. Chemical constituents profiling spectra of each herb and formula were firstly obtained by an ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometry. Next, the high response constituents in the formula were identified and suspicious constituents with weak response were classified preliminarily according to the reflection of chemical components from each herb. In order to clarify the suspicious, a method increasing detection concentration, optimizing chromatographic separation conditions, and online parameters in mass was established. As a result, a total of 123 chemical components including 43 suspicious components in Kangfuxiaoyanshuan were classified and characterized unambiguously.
如何识别响应弱、质谱数据差的痕迹仍然是全面表征中药配方化学成分的一个障碍。因此，我们以康复消炎栓为载体，针对质谱中这些响应弱的成分采用了一种方法。首先通过超高效液相色谱-线性离子阱-轨道阱质谱获得了各草药和配方的化学成分分析图谱。接下来，根据各草药化学成分的反映，鉴定了配方中的高响应成分，并初步对响应弱的可疑成分进行了分类。为了明确可疑成分，建立了一种提高检测浓度、优化色谱分离条件和在线质谱参数的方法。结果，共分类并明确鉴定了康复消炎栓中的 123 种化学成分，包括 43 种可疑成分。
