[Qualitative Analysis of the Novel Synthetic Cannabinoid AFUBIATA]

To investigate a strategy for the qualitative analysis of synthetic cannabinoids with unknown structures in the absence of reference standards.

Column chromatography was used to purify the suspicious sample and obtain a high-purity prepared sample. The prepared sample was analyzed and its structure was confirmed by comprehensive use of gas chromatography-mass spectrometry (GC-MS), ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS), and nuclear magnetic resonance spectroscopy (NMR). The differences between collision-induced dissociation (CID) and electron-activated dissociation (EAD) fragmentation modes of UPLC-QTOF-MS were compared, and the structure was finally confirmed.

A 129.9 mg high-purity prepared sample was obtained through column chromatography. Through comprehensive analysis of GC-MS, UPLC-QTOF-MS and NMR, it was confirmed that the synthetic cannabinoid with an unknown structure was N-(adamantan-1-yl)-2-[1-(4-fluorobenzyl)-1H-indol-3-yl]acetamide, abbreviated as AFUBIATA. Comparison of the CID and EAD fragmentation modes revealed that the EAD provided richer fragment ion information, which facilitated the structural elucidation of the unknown substance.

Column chromatography purification yields high-purity samples, while the integration of GC-MS, UPLC-QTOF-MS, and NMR data enables the structural elucidation of synthetic cannabinoids with unknown structures.