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Reporting the novel synthetic cathinone 5-PPDI through its analytical characterization by mass spectrometry and nuclear magnetic resonance

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Abstract

Purpose

In this work, the identification and characterization of the novel synthetic cathinone 5-PPDI found in a suspect drug sample were performed.

Methods

The suspect sample was analyzed by gas chromatography–mass spectrometry (GC–MS), Fourier-transformed infrared (FTIR) spectroscopy, ultra-high performance liquid chromatography–high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy.

Results

The fragmentation observed in GC–MS and the identification of functional groups by FTIR was not enough for compound identification. After an exhaustive analysis of the accurate-mass fragmentation observed in HRMS, the compound was tentatively identified as the novel cathinone 5-PPDI. Finally, five different NMR experiments were used for the unequivocal identification and complete characterization of the compound. In addition, the origin of this cathinone was investigated in depth.

Conclusions

The analytical data provided in this work will be useful for the identification of 5-PPDI by forensic laboratories. In addition, the origin of this cathinone has been investigated, which could be of interest for the identification of future synthetic cathinones prepared following the similar synthesis route.

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Acknowledgements

D. Fabregat-Safont, J.V. Sancho, F. Hernández and M. Ibáñez acknowledge financial support from Generalitat Valenciana (Group of Excellence Prometeo II 2014/023 and from the Ministerio de Economía y Competitividad in Spain (Project: CTQ2015-65603-P). The authors also acknowledge NPS-Euronet (HOME/2014/JDRUG/AG/DRUG/7086), co-funded by the European Union. This publication reflects the views only of the authors, and the European Commission cannot be held responsible for any use which may be made of the information contained therein. The authors are very grateful to the Serveis Centrals d’Instrumentació Científica (SCIC) of University Jaume I (UJI) for the use of NMR and ATR-FTIR instruments. D. Fabregat-Safont acknowledges Ministerio de Educación, Cultura y Deporte in Spain for his predoctoral grant (Grant FPU15/02033). X. Carbón, C. Gil and M. Ventura acknowledge the grants from Subdirecció General de Drogodependències, Departament de Salut, Generalitat de Catalunya and Plan Nacional sobre Drogas.

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Authors and Affiliations

  1. Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat s/n, 12071, Castellón, Spain

    David Fabregat-Safont, Juan V. Sancho, Félix Hernández & Maria Ibáñez

  2. Energy Control (Asociación Bienestar y Desarrollo), c/Independencia 384, 08041, Barcelona, Spain

    Xoán Carbón, Cristina Gil & Mireia Ventura

Authors
  1. David Fabregat-Safont
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  2. Xoán Carbón
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  3. Cristina Gil
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  4. Mireia Ventura
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  5. Juan V. Sancho
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  6. Félix Hernández
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  7. Maria Ibáñez
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Correspondence to Maria Ibáñez.

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Fabregat-Safont, D., Carbón, X., Gil, C. et al. Reporting the novel synthetic cathinone 5-PPDI through its analytical characterization by mass spectrometry and nuclear magnetic resonance. Forensic Toxicol 36, 447–457 (2018). https://doi.org/10.1007/s11419-018-0422-0

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