Identification of New Psychoactive Tryptamines 4-OH-MET and 4-AcO-DMT Using High Resolution Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy.
10.12116/j.issn.1004-5619.2021.310305
- Author:
Ke Ran DING
1
;
Chun Fang NI
2
;
Si Yang HE
2
;
Kua Dou WANG
2
;
Qian Ya DENG
2
;
Chen LIANG
2
Author Information
1. School of Pharmacy, Fudan University, Shanghai 201203, China.
2. Institute of Forensic Science, Shanghai Public Security Bureau, Shanghai 200083.
- Publication Type:Journal Article
- Keywords:
forensic medicine;
toxicological analysis;
new psychoactive substance;
tryptamine;
gas chromatography-quadrupole time-of-flight mass spectrometry （GC-QTOF-MS）;
ultra-high performance liquid chromatography-linear ion trap quadrupole-orbitrap mass spectrometry （UPLC-LTQ-Orbitrap MS）
- MeSH:
Chromatography, High Pressure Liquid;
Gas Chromatography-Mass Spectrometry;
Magnetic Resonance Spectroscopy;
Mass Spectrometry;
Tryptamines
- From:
Journal of Forensic Medicine
2021;37(4):511-515
- CountryChina
- Language:Chinese
-
Abstract:
Objective To detect the uncontrolled new psychoactive tryptamines involved in drug-related cases with high resolution mass spectrometry and nuclear magnetic resonance spectroscopy. Methods White and brown powder obtained in actual cases were extracted and analyzed by gas chromatography-quadrupole time-of-flight mass spectrometry （GC-QTOF-MS）, ultra-high performance liquid chromatography-linear ion trap quadrupole-orbitrap mass spectrometry （UPLC-LTQ-Orbitrap MS） and 1H-nuclear magnetic resonance spectroscopy （1H-NMR）. Results After detection by GC-QTOF-MS, the components of white powder showed main characteristic fragment ion peaks at m/z 218.141 0 （molecular ion peak）, 72.080 6 （base peak）, etc. After detection by UPLC-LTQ-Orbitrap MS, its protonated molecular ion was m/z 219.149 4. The main ions in the secondary mass spectrum under the collision-induced dissociation （CID） mode were m/z 160.076 3 and 72.080 8. After detection by GC-QTOF-MS, the components of brown powder showed main characteristic fragment ion peaks at m/z 246.135 7 （molecular ion peak）, 58.065 1 （base peak）, etc. After detection by UPLC-LTQ-Orbitrap MS, its protonated molecular ion was m/z 247.145 0. The main ions in the secondary mass spectrum under CID mode were m/z 202.087 1, 160.076 3 and 134.060 5. NIST 17 library retrieval and 1H-NMR confirmed that the white powder and brown powder contained new psychoactive tryptamines 4-OH-MET and 4-AcO-DMT, respectively. Conclusion GC-QTOF-MS, UPLC-LTQ-Orbitrap MS and 1H-NMR can be used together to identify unknown new psychoactive substances.
