Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The samples of plant material suspected to contain new psychoactive substances are very often the subject of chemical-toxicological analyses. Gas chromatography-mass spectrometry (MS), liquid chromatography-quadrupole time-of-flight-MS, and liquid chromatography-tandem MS were applied with the aim to identify synthetic cannabinoid, methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate (MMB-CHMICA) without the analytical standard, which is very often the case when a new drug arrives. The structure of compound was also confirmed by one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy and conformational analysis. After identification, methanolic extract of plant material containing MMB-CHMICA was successfully used for developing a multiple reaction monitoring method on liquid chromatography-tandem MS instrument. The optimization procedure is shown in detail. The complete fragmentation pattern and also the optimization of the extraction procedur...e of MMB-CHMICA from plant material were shown. The obtained data are useful for forensic, toxicological, and clinical purposes.
Кључне речи:
high-resolution mass spectrometry / identification of NPS / MMB-CHMICA / MRM optimization / synthetic cannabinoidsИзвор:
Open Chemistry, 2021, 19, 1, 1259-1273Издавач:
- De Gruyter Open Ltd
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200123 (Универзитет у Приштини са привременим седиштем у Косовској Митровици, Природно-математички факултет) (RS-MESTD-inst-2020-200123)
DOI: 10.1515/chem-2021-0113
ISSN: 2391-5420
WoS: 000736839200001
Scopus: 2-s2.0-85123318672
Институција/група
PharmacyTY - JOUR AU - Lukić, Vera AU - Micić, Ružica AU - Arsić, Biljana AU - Mitić, Milan AU - Jovanović, Miloš AU - Pavlović, Aleksandra PY - 2021 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4050 AB - The samples of plant material suspected to contain new psychoactive substances are very often the subject of chemical-toxicological analyses. Gas chromatography-mass spectrometry (MS), liquid chromatography-quadrupole time-of-flight-MS, and liquid chromatography-tandem MS were applied with the aim to identify synthetic cannabinoid, methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate (MMB-CHMICA) without the analytical standard, which is very often the case when a new drug arrives. The structure of compound was also confirmed by one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy and conformational analysis. After identification, methanolic extract of plant material containing MMB-CHMICA was successfully used for developing a multiple reaction monitoring method on liquid chromatography-tandem MS instrument. The optimization procedure is shown in detail. The complete fragmentation pattern and also the optimization of the extraction procedure of MMB-CHMICA from plant material were shown. The obtained data are useful for forensic, toxicological, and clinical purposes. PB - De Gruyter Open Ltd T2 - Open Chemistry T1 - Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques VL - 19 IS - 1 SP - 1259 EP - 1273 DO - 10.1515/chem-2021-0113 ER -
@article{ author = "Lukić, Vera and Micić, Ružica and Arsić, Biljana and Mitić, Milan and Jovanović, Miloš and Pavlović, Aleksandra", year = "2021", abstract = "The samples of plant material suspected to contain new psychoactive substances are very often the subject of chemical-toxicological analyses. Gas chromatography-mass spectrometry (MS), liquid chromatography-quadrupole time-of-flight-MS, and liquid chromatography-tandem MS were applied with the aim to identify synthetic cannabinoid, methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate (MMB-CHMICA) without the analytical standard, which is very often the case when a new drug arrives. The structure of compound was also confirmed by one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy and conformational analysis. After identification, methanolic extract of plant material containing MMB-CHMICA was successfully used for developing a multiple reaction monitoring method on liquid chromatography-tandem MS instrument. The optimization procedure is shown in detail. The complete fragmentation pattern and also the optimization of the extraction procedure of MMB-CHMICA from plant material were shown. The obtained data are useful for forensic, toxicological, and clinical purposes.", publisher = "De Gruyter Open Ltd", journal = "Open Chemistry", title = "Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques", volume = "19", number = "1", pages = "1259-1273", doi = "10.1515/chem-2021-0113" }
Lukić, V., Micić, R., Arsić, B., Mitić, M., Jovanović, M.,& Pavlović, A.. (2021). Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques. in Open Chemistry De Gruyter Open Ltd., 19(1), 1259-1273. https://doi.org/10.1515/chem-2021-0113
Lukić V, Micić R, Arsić B, Mitić M, Jovanović M, Pavlović A. Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques. in Open Chemistry. 2021;19(1):1259-1273. doi:10.1515/chem-2021-0113 .
Lukić, Vera, Micić, Ružica, Arsić, Biljana, Mitić, Milan, Jovanović, Miloš, Pavlović, Aleksandra, "Identification of synthetic cannabinoid methyl 2-{[1-(cyclohexylmethyl)-1H-indol-3-yl] formamido}-3-methylbutanoate using modern mass spectrometry and nuclear magnetic resonance techniques" in Open Chemistry, 19, no. 1 (2021):1259-1273, https://doi.org/10.1515/chem-2021-0113 . .