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Headspace analysis of new psychoactive substances using a Selective Reagent Ionisation-Time of Flight-Mass Spectrometer.

Acton WJ, Lanza M, Agarwal B, Jürschik S, Sulzer P, Breiev K, Jordan A, Hartungen E, Hanel G, Märk L, Mayhew CA, Märk TD - Int J Mass Spectrom (2014)

Bottom Line: The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required.In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O(+), O2 (+), NO(+) and Kr(+) with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine.The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.

View Article: PubMed Central - PubMed

Affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria ; Lancaster Environment Centre, Lancaster University, LA1 4YQ Lancaster, UK.

ABSTRACT

The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required. A Selective Reagent Ionisation-Time of Flight-Mass Spectrometry (SRI-ToF-MS) instrument is capable of meeting all of these requirements. With its high mass resolution (up to m/Δm of 8000), the application of variations in reduced electric field strength (E/N) and use of different reagent ions, the ambiguity of a nominal (monoisotopic) m/z is reduced and hence the identification of chemicals in a complex chemical environment with a high level of confidence is enabled. In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O(+), O2 (+), NO(+) and Kr(+) with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine. In particular, the dependence of product ion branching ratios on the reduced electric field strength for all reagent ions was investigated and is reported here. The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.

No MeSH data available.


Related in: MedlinePlus

Chemical structures of (a) 4-fluoroamphetamine, (b) methiopropamine, (c) 5-(2-aminopropyl)benzofuran, (d) ethcathinone, (e) 4-methylethcathinone, (f) N-ethylbuphedrone, (g) ethylphenidate, (h) 5-MeO-DALT, (i) dimethocaine and (j) nitracaine.
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fig0005: Chemical structures of (a) 4-fluoroamphetamine, (b) methiopropamine, (c) 5-(2-aminopropyl)benzofuran, (d) ethcathinone, (e) 4-methylethcathinone, (f) N-ethylbuphedrone, (g) ethylphenidate, (h) 5-MeO-DALT, (i) dimethocaine and (j) nitracaine.

Mentions: In this paper a detailed study of the principle product ions observed following reactions of H3O+, NO+, O2+ and Kr+ with a number of new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine (for structural information see Fig. 1) is reported. In particular, the effects of E/N on the fragmentation pathways are also discussed in detail. These datasets, which provide information on the exact m/z and E/N dependence for all abundant fragments and with all four reagent ions, respectively, should help in the development of a highly selective analytical technique for drug detection based on SRI-ToF-MS suitable for real world scenarios.


Headspace analysis of new psychoactive substances using a Selective Reagent Ionisation-Time of Flight-Mass Spectrometer.

Acton WJ, Lanza M, Agarwal B, Jürschik S, Sulzer P, Breiev K, Jordan A, Hartungen E, Hanel G, Märk L, Mayhew CA, Märk TD - Int J Mass Spectrom (2014)

Chemical structures of (a) 4-fluoroamphetamine, (b) methiopropamine, (c) 5-(2-aminopropyl)benzofuran, (d) ethcathinone, (e) 4-methylethcathinone, (f) N-ethylbuphedrone, (g) ethylphenidate, (h) 5-MeO-DALT, (i) dimethocaine and (j) nitracaine.
© Copyright Policy - CC BY
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4375562&req=5

fig0005: Chemical structures of (a) 4-fluoroamphetamine, (b) methiopropamine, (c) 5-(2-aminopropyl)benzofuran, (d) ethcathinone, (e) 4-methylethcathinone, (f) N-ethylbuphedrone, (g) ethylphenidate, (h) 5-MeO-DALT, (i) dimethocaine and (j) nitracaine.
Mentions: In this paper a detailed study of the principle product ions observed following reactions of H3O+, NO+, O2+ and Kr+ with a number of new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine (for structural information see Fig. 1) is reported. In particular, the effects of E/N on the fragmentation pathways are also discussed in detail. These datasets, which provide information on the exact m/z and E/N dependence for all abundant fragments and with all four reagent ions, respectively, should help in the development of a highly selective analytical technique for drug detection based on SRI-ToF-MS suitable for real world scenarios.

Bottom Line: The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required.In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O(+), O2 (+), NO(+) and Kr(+) with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine.The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.

View Article: PubMed Central - PubMed

Affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, 6020 Innsbruck, Austria ; Lancaster Environment Centre, Lancaster University, LA1 4YQ Lancaster, UK.

ABSTRACT

The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required. A Selective Reagent Ionisation-Time of Flight-Mass Spectrometry (SRI-ToF-MS) instrument is capable of meeting all of these requirements. With its high mass resolution (up to m/Δm of 8000), the application of variations in reduced electric field strength (E/N) and use of different reagent ions, the ambiguity of a nominal (monoisotopic) m/z is reduced and hence the identification of chemicals in a complex chemical environment with a high level of confidence is enabled. In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O(+), O2 (+), NO(+) and Kr(+) with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine. In particular, the dependence of product ion branching ratios on the reduced electric field strength for all reagent ions was investigated and is reported here. The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.

No MeSH data available.


Related in: MedlinePlus