Objective:As the current situation is impossible to carry out a quick"blind test"on unknown samples and identify the base sources of Traditional Chinese Medicine(TCM),we aim to propose a"digital ID"identification strategy for the chemical composition information of Traditional Chinese Medicine in order to realize the identification and analysis of unknown TCM.Methods:Based on mathematical analysis and empirical research method,the identification steps were defined as follows:(1)Multiple batches of TCM were analyzed using UHPLC-QTOF-MS;(2)Subsequent to digital quantification,the shared ions of different batches of TCM were extracted;(3)According to the ion intensity,the top-N ion's information was output as"digital identity card"of different TCM;(4)Based on above-mentioned"digital identity card",the samples were matched and identified by adjusting the deviation of retention time(Rt),mass-to-charge ratio(m/z)and ionic strength(Ⅰ),and the Matching Credibility(MC)was fed back.Results:Through mathematical analysis and empirical research,it showed that the identification strategy of TCM based on"digital identity card"of chemical composition information was feasible,and the MCs of the validation samples.Under this strategy,9 species of medicinal materials can be identified quickly and accurately.Conclusion:The identification strategy of TCM based on the"digital identity card"of chemical composition information could help to realize the identification analysis of unknown TCM.It could be used for the non-targeted identification of TCM.
关键词
中药材/数字化/数字身份证/鉴定分析/非靶向鉴定
Key words
Traditional Chinese Medicine/digitization/digital identity card/identification analysis/non-targeted identification
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