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| Metabolomic Analysis of a Novel Synthetic Cannabinoid ADB－BUTINACA in Zebrafish in Different Time Periods |
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| DOI： |
| KeyWord:ADB－BUTINACA differential metabolites Stacking integrated learning metabolic pathway enrichment analysis liquid chromatography－high resolution mass spectrometry |
| Author | Institution |
| JIE Zhao-wei，ZHANG Wen-fang，WANG Ji-fen，QIN Shi-yang，XU Duo-qi，QIN Ge，XU Peng |
1. School of Investigation，People’s Public Security University of China，Beijing ，China; 2. Key Laboratory of Forensic Toxicology，Ministry of Public Security，Forensic Science Service of Beijing Public Security Bureau，Beijing ，China; 3. Scientific Research Institute of Forensic Expertise，Shanghai Key Laboratory of Forensic Medicine，Shanghai ，China; 4. Anti Drug Information Technology Center of the Ministry of Public Security， Key Laboratory of Drug Monitoring，Control and Anti Drug Key Technologies of the Ministry of Public Security，Beijing ，China |
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| Abstract: |
| Liquid chromatography－high resolution mass spectrometry was ultilized for the analysis on 21 metabolites of ADB－BUTINACA in zebrafish over different time periods in this paper．Firstly，the partial least squares discriminant analysis and hierarchical clustering analysis of orthogonal signal transformation were used to screen out 7 metabolites with significant differences between groups．Furthermore，a Stacking integrated learning model was established with the 7 differential metabolites as the characteristics for classification and prediction on 4 groups of samples in zebrafish in different time periods．It was found that the prediction accuracy of the model was as high as 98%，indicating that the potential differential metabolites screened could effectively reflect the variation of the original drug in zebrafish in different time periods．The content changes of metabolites in the 4 groups of samples were enriched and analyzed．The results showed that the overall content of differential metabolites decreased with the increase of exposure time，and the content distribution of various metabolites tended to be balanced from the initial imbalance．In addition，the experiment showed that most of the differential metabolite metabolic pathways closely related to hydroxylation reactions，and it was speculated that the hydroxylation reactions of the original drug in vivo had a certain correlation with the estimation of administration time. The experimental results could provide a basis for analysis in related fields such as drug taking time estimation. |
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