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. 2016;34:115-124.
doi: 10.1007/s11419-015-0295-4. Epub 2015 Oct 13.

Identification and Characterization of New Designer Drug 4-fluoro-PV9 and α-PHP in the Seized Materials

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Free PMC article

Identification and Characterization of New Designer Drug 4-fluoro-PV9 and α-PHP in the Seized Materials

Milena Majchrzak et al. Forensic Toxicol. .
Free PMC article

Abstract

In this study, we present identification and physicochemical characterization of new cathinone derivatives, 4-fluoro-PV9 and already known α-PHP in seized materials. Although the disclosure of α-PHP from an illegal product had been reported and characterized to some extent, the data on α-PHP are also presented together with those of 4-fluoro-PV9. The data of characterization for the two compounds were obtained by high-performance liquid chromatography (HPLC)-mass spectrometry and HPLC-diode array detection, electrospray ionization/ion trap mass spectrometry in MS2 and MS3 modes, gas chromatography-mass spectrometry, thermogravimetric analysis, differential scanning calorimetry, Fourier transform infrared spectroscopy, ultraviolet-visible spectroscopy, and nuclear magnetic resonance spectroscopy. To our knowledge, this is the first report for identification and detailed characterization of 4-fluoro-PV9 circulated on the illegal drug market.

Keywords: 4-Fluoro-PV9; Designer drugs; ESI-MS/MS; GC–MS; NMR; α-PHP.

Figures

Fig. 1
Fig. 1
a Total ion current chromatogram (TIC) and b the single-stage mass spectrum of the intense peak appearing in the TIC obtained from the compound in sample no. 1, recorded by high-performance liquid chromatography–mass spectrometry (HPLC–MS)
Fig. 2
Fig. 2
Product ion mass spectra obtained by ion trap mass spectrometry (MS) in the a MS2 (tandem) and b MS3 modes for sample no. 1. The precursor ions used for the MS2 and MS3 modes were those at m/z 292 and 274, respectively
Fig. 3
Fig. 3
Mass spectrum of the compound contained in sample no. 1, obtained by gas chromatography–mass spectrometry (GC–MS) in the electron ionization (EI) mode
Fig. 4
Fig. 4
Target compound structures with carbon atom numbering for nuclear magnetic resonance analysis. a The compound contained in the sample no. 1; b the compound contained in sample no. 2
Fig. 5
Fig. 5
a TIC and b the single-stage mass spectrum of the intense peak appearing in the TIC, obtained from the compound in sample no. 2 recorded by HPLC–MS
Fig. 6
Fig. 6
Product ion mass spectra obtained by ion trap MS in a MS2 (tandem) and b MS3 modes for sample no. 2. The precursor ions used for the MS2 and MS3 modes were those at m/z 246 and 175, respectively
Fig. 7
Fig. 7
Mass spectrum of the compound contained in sample no. 2, obtained by GC–MS in the EI mode
Fig. 8
Fig. 8
Ultraviolet-visible spectroscopy for the compounds contained in a sample no. 1 and b sample no. 2
Fig. 9
Fig. 9
Thermogravimetric spectra for the compounds contained in a sample no. 1 and b sample no. 2

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