Dataset allowing for the identification of three new synthetic cannabimimetics featuring a norbornyl methyl side chain by spectrometric and spectroscopic techniques

Published: 23 September 2021| Version 1 | DOI: 10.17632/m3dbvfss5v.1
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Description

Synthetic cannabimimetics are a diverse group of new psychoactive substances with varying potency and harm potential. Every year, new SCs appear on the drug market and reliable and correct identification of these new derivatives independent from the matrix relies on the availability of verified spectra. Three new synthetic cannabimimetics featuring a norbornyl methyl side chain and varying in the core structure element were identified in different seizures and forms. Cumyl-BC[2.2.1]HpMeGaClone and Cumyl-BC[2.2.1]HpMINACA were laced onto herbal blends whereas Cumyl-BC[2.2.1]HpMICA was seized as pure solid powder. The data collection process involves a comprehensive set of orthogonal analytical techniques aimed at the unambiguous identification of the respective end- and exo-isomers. Furthermore, the diversity of analytical techniques allows a greater number of laboratories working in the field of forensic chemistry to confidently identify the substances described in our original research article. Structure elucidation and analytical characterisation were performed within the EU-project ADEBAR plus using gas chromatography-mass spectrometry (GC-MS), gas chromatography-solid state infrared spectroscopy (GC-sIR), as well as solid and neat IR spectroscopy, Raman spectroscopy, liquid chromatography-electrospray ionisation-mass spectrometry (LC-ESI-MS), and high resolution (HR)-LC-ESI-MS, and nuclear magnetic resonance (NMR) spectroscopy. The raw analytical data files are included in this data repository alongside the individual spectra in a universally importable format. The use of the universal JCAMP format for storage of the spectra facilitates database maintenance and enables seamless integration of the verified spectra. The dataset enables other researchers worldwide to confidently identify these three new SCs.

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Institutions

Albert-Ludwigs-Universitat Freiburg Fakultat fur Chemie und Pharmazie

Categories

Analytical Chemistry, Cannabinoid, Forensic Chemistry

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