WANG Kuadou, YUAN Xiaoliang, ZHANG Yurong, LIU Wenbin, HU Junjian, CAO Fangqi, ZOU Yun
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5F-MDMB-PICA (chemical designation: methyl 2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3,3-dimethyl-butanoate), a new psychoactive substance of synthetic cannabinoid, was identified through the analytic approaches of FT-IR, GC-MS, LC-MS and NMR, thereby having a multiple-technic-combinatorial qualitative detection and differentiation method established for such a substance from several evidential materials (powder and tobacco). For the sample of powder, FT-IR was adopted to test it, yet getting a low match from its spectrum repertory which to query with the tested result (guessing the low purity of the sample to cause it). Whereas, both the powder and tobacco-thread samples gave positive result from either GC-MS or LC-MS analysis after appropriate and necessary treatments being imposed into the sample, resulting the sample in GC-MS rendering main-constituent mass spectral characteristic ions (m/z) at 232 (base peak), 144, 376, 320, 288, 260, 116, 212. Further, LC-MS (one kind of HRMS - high resolution mass spectrometer) revealed the targeted chemical is of precise mass quantity [M+H]+ as 377.22305. Even, NMR detection confirmed the structure of the chemical from the powder sample that was previously dissolved with deuterated methanol to undergo the 1H-NMR parsing. With all the tested results and those from querying the involving database to bring into a conclusion altogether, the chemical is no doubt 5F-MDMB-PICA. Prominently, NMR approach proved its great potential for chemical structure acquisition of unknown compounds (e.g., the here-concerned new psychoactive substances), meanwhile demonstrating its unique advantages of high visibility, efficiency and credibility.