大麻
代谢组学
计算机科学
化学
计算生物学
数据科学
色谱法
生物
医学
精神科
作者
David S. Wishart,Mickel Hiebert-Giesbrecht,Gozal Inchehborouni,Xuan Cao,An Chi Guo,Marcia LeVatte,Claudia Torres-Calzada,Vasuk Gautam,Mathew Johnson,Jaanus Liigand,Fei Wang,S. M. Hosseini Zahraei,Sudarshana Reddy Bhumireddy,Yilin Wang,Jiamin Zheng,Rupasri Mandal,Jason R.B. Dyck
标识
DOI:10.1021/acs.jafc.3c06616
摘要
Cannabis is widely used for medicinal and recreational purposes. As a result, there is increased interest in its chemical components and their physiological effects. However, current information on cannabis chemistry is often outdated or scattered across many books and journals. To address this issue, we used modern metabolomics techniques and modern bioinformatics techniques to compile a comprehensive list of >6000 chemical constituents in commercial cannabis. The metabolomics methods included a combination of high- and low-resolution liquid chromatography-mass spectrometry (MS), gas chromatography-MS, and inductively coupled plasma-MS. The bioinformatics methods included computer-aided text mining and computational genome-scale metabolic inference. This information, along with detailed compound descriptions, physicochemical data, known physiological effects, protein targets, and referential compound spectra, has been made available through a publicly accessible database called the Cannabis Compound Database (https://cannabisdatabase.ca). Such a centralized, open-access resource should prove to be quite useful for the cannabis community.
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