Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations
Jazyk angličtina Země Nizozemsko Médium print-electronic
Typ dokumentu časopisecké články
Odkazy
PubMed
28456284
DOI
10.1016/j.aca.2017.03.023
PII: S0003-2670(17)30318-5
Knihovny.cz E-zdroje
- Klíčová slova
- Bath salts, Fourier transform ion cyclotron resonance, Gas phase absorption, Isomeric drugs, Time-dependent density functional theory, VUV absorption spectroscopy,
- MeSH
- chromatografie plynová * MeSH
- isomerie MeSH
- nové syntetické drogy analýza MeSH
- spektrální analýza * MeSH
- stimulanty centrálního nervového systému analýza MeSH
- vakuum MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- nové syntetické drogy MeSH
- stimulanty centrálního nervového systému MeSH
Distinguishing isomeric representatives of "bath salts", "plant food", "spice", or "legal high" remains a challenge for analytical chemistry. In this work, we used vacuum ultraviolet spectroscopy combined with gas chromatography to address this issue on a set of forty-three designer drugs. All compounds, including many isomers, returned differentiable vacuum ultraviolet/ultraviolet spectra. The pair of 3- and 4-fluoromethcathinones (m/z 181.0903), as well as the methoxetamine/meperidine/ethylphenidate (m/z 247.1572) triad, provided very distinctive vacuum ultraviolet spectral features. On the contrary, spectra of 4-methylethcathinone, 4-ethylmethcathinone, 3,4-dimethylmethcathinone triad (m/z 191.1310) displayed much higher similarities. Their resolution was possible only if pure standards were probed. A similar situation occurred with the ethylone and butylone pair (m/z 221.1052). On the other hand, majority of forty-three drugs was successfully separated by gas chromatography. The detection limits for all the drug standards were in the 2-4 ng range (on-column amount), which is sufficient for determinations of seized drugs during forensics analysis. Further, state-of-the-art time-dependent density functional theory was evaluated for computation of theoretical absorption spectra in the 125-240 nm range as a complementary tool.
Department of Chemistry and Biochemistry The University of Texas at Arlington Arlington TX USA
Department of Forensic Science George Washington University Washington DC USA
