Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques
Лукић, Вера
Abstract
The samples of plant material suspected to contain
new psychoactive substances are very often the subject
of chemical-toxicological analyses. Gas chromatographymass
spectrometry (MS), liquid chromatography-quadrupole
time-of-flight-MS, and liquid chromatography-tandem
MS were applied with the aimto identify synthetic cannabinoid,
methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-
3-methylbutanoate (MMB-CHMICA) without the
analytical standard, which is very often the case when a
new drug arrives. The structure of compound was also confirmed
by one-dimensional and two-dimensional nuclear
magnetic resonance spectroscopy and conformational analysis.
After identification, methanolic extract of plant material
containing MMB-CHMICA was successfully used for
developing amultiple reactionmonitoringmethod on liquid
chromatography-tandem MS instrument. The optimization
procedure is shown in detail. The complete fragmentation
pattern and also the optimization of the extraction procedure
of MMB-CHMICA from plant material were shown. The
obtained data are useful for forensic, toxicological, and clinical
purposes.
Abstract
The samples of plant material suspected to contain new psychoactive substances are very often the subject of chemical-toxicological analyses. Gas chromatographymass spectrometry (MS), liquid chromatography-quadrupole time-of-flight-MS, and liquid chromatography-tandem MS were applied with the aimto identify synthetic cannabinoid, methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}- 3-methylbutanoate (MMB-CHMICA) without the analytical standard, which is very often the case when a new drug arrives. The structure of compound was also confirmed by one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy and conformational analysis. After identification, methanolic extract of plant material containing MMB-CHMICA was successfully used for developing amultiple reactionmonitoringmethod on liquid chromatography-tandem MS instrument. The optimization procedure is shown in detail. The complete fragmentation pattern and also the optimization of the extraction procedure of MMB-CHMICA from plant material were shown. The obtained data are useful for forensic, toxicological, and clinical purposes.