Study the Fragmentation Characteristics and Analysis Strategy of Cathinones by Ambient Ionization Portable Mass Spectrometry

Paper-capillary spray modified on the basis of paper spray ionization in order to facilitate the combination with portable mass spectrometry is an ambient ionization technique, which can be uesd to detect compounds rapidly without the restriction of location and environment. Paper-capillary spray and ambient ionization portable mass spectrometry in positive ion mode were used to collect mass spectrum information of 40 kinds of cathinones controlled in China. The [M+H]+ peak of MS1, the characteristic fragment ions of MS2 and MS2_DDA mode and their relative abundance ratio were analyzed. The obtained mass spectrum information was used to establish a database for the rapid screening of 40 cathinones. It was found that C-N cleavage at the α site existed in all the cathinones through the study of their fragmentation characteristics. Whether the highest ion peak was [M-H2O+H]+ fragment peak could infer the existence of secondary and tertiary amine structures. A series of characteristic peaks of m/z 98+CnH2n would exist when the N was substituted by pyrrolidinyl. The characteristic ion of [M+H]+ lost 48 u or that of non [M+H]+ lost 30 u would exist when the benzene ring was substituted by methylenedioxy. The fragmentation characteristics were studied to design and establish a complete analysis strategy for the unknown cathinones. The strategy could be applied in the following three aspects. 1) To judge whether they are cathinones; 2) To judge whether they are 40 kinds of cathinones in the database; 3) To infer the characteristic structure of cathinones outside the scope of the database. The strategy was successfully used for the structural identification of 10 analytes, which included the common categories of drugs controlled in China. No interference or misjudgment was found, and the database could be used normally. The structures inferred by the analysis strategy were consistent with the actual structure, and the isomers involved would also be distinguished because of their different fragment ions, indicating that this scheme was feasible. This method only needs simple sample loading operation and integrated small mass spectrometer, and is not limited by location and environment. In the investigation of such drug cases, this method can carry out rapid screening and timely feedback, which plays an important role in the rapid and accurate crackdown on the crime of cathinones and it is expected to be a new way to study and judge the crime of cathinones. © 2021, Editorial Board of Journal of Chinese Mass Spectrometry Society. All right reserved.