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Dataset allowing for the identification of three new synthetic cannabimimetics featuring a norbornyl methyl side chain by spectrometric and spectroscopic techniques.
Pulver, Benedikt; Riedel, Jan; Schönberger, Torsten; Pütz, Michael; Schäper, Jan; Kunert, Natalie; Putzer, Klaus; Hermann, Gunter; Auwärter, Volker; Westphal, Folker.
Afiliación
  • Pulver B; Institute of Forensic Medicine, Forensic Toxicology, Medical Center - University of Freiburg, Faculty of Medicine, University of Freiburg, Albertstr. 9, Freiburg 79104, Germany.
  • Riedel J; Hermann Staudinger Graduate School, University of Freiburg, Hebelstr. 27, 79104 Freiburg, Germany.
  • Schönberger T; State Bureau of Criminal Investigation Schleswig-Holstein, Forensic Science Institute, Mühlenweg 166, Kiel 24116, Germany.
  • Pütz M; Federal Criminal Police Office, Forensic Science Institute, Äppelallee 45, Wiesbaden 65203, Germany.
  • Schäper J; Federal Criminal Police Office, Forensic Science Institute, Äppelallee 45, Wiesbaden 65203, Germany.
  • Kunert N; Federal Criminal Police Office, Forensic Science Institute, Äppelallee 45, Wiesbaden 65203, Germany.
  • Putzer K; Bavarian State Criminal Police Office, Forensic Science Institute, Maillingerstr. 15, München 80636, Germany.
  • Hermann G; German Customs, Direction IX, Educational and Scientific Center, Lilienthalstraße 3, Markt Schwaben 85570, Germany.
  • Auwärter V; Douane Laboratorium, Kingsfordweg 1, Amsterdam 1043 GN, the Netherland.
  • Westphal F; QoD Technologies GmbH, c/o Freie Universität Berlin, Altensteinstr. 40, 14195 Berlin, Germany.
Data Brief ; 39: 107628, 2021 Dec.
Article en En | MEDLINE | ID: mdl-34988267
Synthetic cannabimimetics (SC) are a diverse group of new psychoactive substances with varying potency and harm potential. New SCs appear on the drug market every year, 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 core structure elements 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 a pure solid powder. The data collection process involves a comprehensive set of orthogonal analytical techniques allowing for the unambiguous identification of the respective endo- 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 [1]. 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 the Mendeley 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. Thus, the dataset enables other researchers worldwide to identify these three new SCs confidently.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies Idioma: En Revista: Data Brief Año: 2021 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Países Bajos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies Idioma: En Revista: Data Brief Año: 2021 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Países Bajos