Mass spectral prediction of synthetic cannabinoids

Abstract

Recently, many incidents and accidents are caused by the use of dangerous drugs. As a countermeasure, 800 kinds of synthetic cannabinoids and 500 kinds of cathinones are comprehensively specified and regulated. There are many things of not synthesized in a lot of standards of these drugs. Therefore, it is difficult to identify by means of comparing these drugs and standards. We thought a method of mass spectral prediction about cannabinoids by use the density functional theory of quantum chemistry. In this way, we compared the mass spectrum of prediction by using quantum chemistry and those standards were measured by LC-MS/MS with ESI (Electrospray ionization). We will report of poster about these details.