基于中药材化学成分的数字化非靶向鉴定及应用平台构建OACSTPCD

Objective:To explore the non-targeted identification of Chinese herbal medicines and construct an"identity card"information database for the chemical components of Chinese herbal medicines.Methods:Based on ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-QTOF-MS),mass spectrometry data of the chemical components of various Chinese herbal medicines were obtained.Using the combination characteristics of these chemical components,digital"identity card"for Chinese herbal medicines were created,forming the"identity card"information database.For the samples to be tested,an ordered matching method was applied for database retrieval to achieve non-targeted identification.Results:Utilizing Node.js and Java,the"identity card"information database of chemical components for Chinese herbal medicines was successfully constructed,encompassing 237 types of Chinese herbal medicines.Non-targeted identification of Chinese herbal medicines was realized based on their"identity card"characteristics.Conclusion:Considering the multi-component and holistic nature of Chinese herbal medicines,the"identity card"information database for chemical components leverages the combination characteristics of all components to enable digital non-targeted identification and analysis of Chinese herbal medicines and decoction pieces,improving the efficiency of identification and analysis.This database provides valuable reference and support for the digitalization of Chinese herbal medicines.