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

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.