Forensic Toxicology

, Volume 36, Issue 2, pp 447–457 | Cite as

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

  • David Fabregat-Safont
  • Xoán Carbón
  • Cristina Gil
  • Mireia Ventura
  • Juan V. Sancho
  • Félix Hernández
  • Maria Ibáñez
Original Article



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


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.


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.


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.


5-PPDI Synthetic cathinones 1-(2,3-Dihydro-1H-inden-5-yl)-2-(pyrrolidin-1-yl)butan-1-one High-resolution mass spectrometry NMR spectroscopy FTIR spectroscopy 



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.

Compliance with ethical standards

Conflict of interest

There are no financial or other relations that could lead to a conflict of interest.

Ethical approval

This article does not contain any studies with human participants or animals performed by any of the authors.

Supplementary material

11419_2018_422_MOESM1_ESM.pdf (358 kb)
Supplementary material 1 (PDF 358 kb)


  1. 1.
    European Monitoring Centre for Drugs and Drug Addiction (2017) European Drug Report 2017. EMCDDA–Europol Jt Publ 88.
  2. 2.
    Department of justice. Drug Enforcement Administration (DEA) (2014) Schedules of controlled substances: temporary placement of 10 synthetic cathinones into schedule I. Accessed 7 Dec 2017
  3. 3.
    China Food and Drug Administration (2015) 关于印发《非药用类麻醉药品和精神药品列管办法》的通知 公通字〔2015〕27号. Accessed 7 Dec 2017
  4. 4.
    Casale JF, Hays PA (2012) The characterization of α-pyrrolidinopentiophenone. Microgram J 9:33–38Google Scholar
  5. 5.
    King LA, Kicman AT (2011) A brief history of ‘new psychoactive substances’. Drug Test Anal 3:401–403. CrossRefPubMedGoogle Scholar
  6. 6.
    Griffiths P, Evans-Brown M, Sedefov R (2013) Getting up to speed with the public health and regulatory challenges posed by new psychoactive substances in the information age. Addiction 108:1700–1703. CrossRefPubMedGoogle Scholar
  7. 7.
    Brandt SD, King LA, Evans-Brown M (2014) The new drug phenomenon. Drug Test Anal 6:587–597. CrossRefPubMedGoogle Scholar
  8. 8.
    Majchrzak M, Celiński R, Kuś P, Kowalska T, Sajewicz M (2018) The newest cathinone derivatives as designer drugs: an analytical and toxicological review. Forensic Toxicol 36:33–50. CrossRefPubMedGoogle Scholar
  9. 9.
    Coelho Neto J (2015) Rapid detection of NBOME’s and other NPS on blotter papers by direct ATR-FTIR spectrometry. Forensic Sci Int 252:87–92. CrossRefPubMedGoogle Scholar
  10. 10.
    Pereira LSA, Lisboa FLC, Neto JC, Valladão FN, Sena MM (2017) Direct classification of new psychoactive substances in seized blotter papers by ATR-FTIR and multivariate discriminant analysis. Microchem J 133:96–103. CrossRefGoogle Scholar
  11. 11.
    Kudo K, Usumoto Y, Usui K, Hayashida M, Kurisaki E, Saka K, Tsuji A, Ikeda N (2014) Rapid and simultaneous extraction of acidic and basic drugs from human whole blood for reliable semi-quantitative NAGINATA drug screening by GC–MS. Forensic Toxicol 32:97–104. CrossRefGoogle Scholar
  12. 12.
    Namera A, Kawamura M, Nakamoto A, Saito T, Nagao M (2015) Comprehensive review of the detection methods for synthetic cannabinoids and cathinones. Forensic Toxicol 33:175–194. CrossRefPubMedPubMedCentralGoogle Scholar
  13. 13.
    Zuba D (2012) Identification of cathinones and other active components of ‘legal highs’ by mass spectrometric methods. Trends Anal Chem 32:15–30. CrossRefGoogle Scholar
  14. 14.
    Kohyama E, Chikumoto T, Tada H, Kitaichi K, Horiuchi K, Ito T (2016) Differentiation of the isomers of N-alkylated cathinones by GC-EI-MS-MS and LC-PDA. Anal Sci 32:831–837. CrossRefPubMedGoogle Scholar
  15. 15.
    Ibañez M, Sancho JV, Bijlsma L, van Nuijs ALN, Covaci A, Hernández F (2014) Comprehensive analytical strategies based on high-resolution time-of-flight mass spectrometry to identify new psychoactive substances. Trends Anal Chem 57:107–117. CrossRefGoogle Scholar
  16. 16.
    Fornal E (2013) Identification of substituted cathinones: 3,4-methylenedioxy derivatives by high performance liquid chromatography–quadrupole time of flight mass spectrometry. J Pharm Biomed Anal 81–82:13–19. CrossRefPubMedGoogle Scholar
  17. 17.
    Fabregat-Safont D, Fornís I, Ventura M, Gil C, Calzada N, Sancho JV, Hernández F, Ibáñez M (2017) Identification and characterization of a putative new psychoactive substance, 2-(2-(4-chlorophenyl)acetamido)-3-methylbutanamide, in Spain. Drug Test Anal 9:1073–1080. CrossRefPubMedGoogle Scholar
  18. 18.
    Westphal F, Junge T, Rösner P, Fritschi G, Klein B, Girreser U (2007) Mass spectral and NMR spectral data of two new designer drugs with an α-aminophenone structure: 4′-methyl-α-pyrrolidinohexanophenone and 4′-methyl-α-pyrrolidinobutyrophenone. Forensic Sci Int 169:32–42. CrossRefPubMedGoogle Scholar
  19. 19.
    Kuś P, Kusz J, Książek M, Pieprzyca E, Rojkiewicz M (2017) Spectroscopic characterization and crystal structures of two cathinone derivatives: N-ethyl-2-amino-1-phenylpropan-1-one (ethcathinone) hydrochloride and N-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride. Forensic Toxicol 35:114–124. CrossRefPubMedGoogle Scholar
  20. 20.
    Majchrzak M, Rojkiewicz M, Celiński R, Kuś P, Sajewicz M (2016) Identification and characterization of new designer drug 4-fluoro-PV9 and α-PHP in the seized materials. Forensic Toxicol 34:115–124. CrossRefPubMedGoogle Scholar
  21. 21.
    Qian Z, Jia W, Li T, Hua Z, Liu C (2017) Identification and analytical characterization of four synthetic cannabinoids ADB-BICA, NNL-1, NNL-2, and PPA(N)-2201. Drug Test Anal 9:51–60. CrossRefPubMedGoogle Scholar
  22. 22.
    Liu C, Jia W, Li T, Hua Z, Qian Z (2017) Identification and analytical characterization of nine synthetic cathinone derivatives N-ethylhexedrone, 4-Cl-pentedrone, 4-Cl- α -EAPP, propylone, N-ethylnorpentylone, 6-MeO-bk-MDMA, α -PiHP, 4-Cl- α -PHP, and 4-F- α -PHP. Drug Test Anal 9:1162–1171. CrossRefPubMedGoogle Scholar
  23. 23.
    Apirakkan O, Frinculescu A, Shine T, Parkin MC, Cilibrizzi A, Frascione N, Abbate V (2018) Analytical characterization of three cathinone derivatives, 4-MPD, 4F-PHP and bk-EPDP, purchased as bulk powder from online vendors. Drug Test Anal 10:372–378. CrossRefPubMedGoogle Scholar
  24. 24.
    Fabregat-Safont D, Carbón X, Ventura M, Fornís I, Guillamón E, Sancho JV, Hernández F, Ibáñez M (2017) Updating the list of known opioids through identification and characterization of the new opioid derivative 3,4-dichloro-N-(2-(diethylamino)cyclohexyl)-N-methylbenzamide (U-49900). Sci Rep 7:6338. CrossRefPubMedPubMedCentralGoogle Scholar
  25. 25.
    González D, Ventura M, Caudevilla F, Torrens M, Farre M (2013) Consumption of new psychoactive substances in a Spanish sample of research chemical users. Hum Psychopharmacol Clin Exp 28:332–340. CrossRefGoogle Scholar
  26. 26.
    Flashback (2015) Ny RC “5-PPDI” Någon info om detta?. Accessed 7 Dec 2017
  27. 27.
  28. 28.
    Reddit (2015) 5-PPDI experiment #2. Accessed 7 Dec 2017

Copyright information

© Japanese Association of Forensic Toxicology and Springer Japan KK, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Research Institute for Pesticides and WaterUniversity Jaume ICastellónSpain
  2. 2.Energy Control (Asociación Bienestar y Desarrollo)BarcelonaSpain

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