Identification of the New Psychoactive Substance Eutylone

doi:10.12116/j.issn.1004-5619.2021.310503

Abstract

Abstract:

Objective To establish a method to identify unknown sample based on the combined use of Fourier transform infrared spectroscopy （FTIR）, 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） technique. Methods The unknown sample was directly analyzed by FTIR. The unknown sample was dissolved in methanol solution containing internal standard SKF_525A and the supernatant was detected by GC-QTOF-MS and UPLC-LTQ-Orbitrap MS. The unknown sample was dissolved in methanol-d4 solution for structural analysis of ¹H-NMR. Results The characteristic absorption peaks of FTIR spectra obtained from unknown sample were 1 682 （C=O bond）, 1 503, 1 488, 1 436, 1 363, 1 256, 1 092, 1 035, 935, 840 and 800 cm^-1, the characteristic fragment ions （m/z） of GC-QTOF-MS were 86.096 4 （base peak）, 58.065 1, 149.023 5, 121.028 6 and 65.038 6, the accurate mass [M+H]⁺ detected by UPLC-LTQ-Orbitrap MS was 236.127 7. The sample was identified as synthetic cathinone new psychoactive substance Eutylone by ¹H-NMR. Conclusion The method established in this study can be used for structural confirmation of Eutylone.

Key words: forensic toxicological analysis, new psychoactive substance, synthetic cathinones, Eutylone, Fourier transform infrared spectroscopy （FTIR）, gas chromatography-quadrupole time-of-flight mass spectro-metry （GC-QTOF-MS）, ultra-high performance liquid chromatography-linear ion trap quadrupole-orbitrap mass spectrometry （UPLC-LTQ-Orbitrap MS）, ¹H-nuclear magnetic resonance spectroscopy （¹H-NMR）

CLC Number:

DF795.1

Qian-ya DENG, Wen-juan SUN, Si-yang HE, Kua-dou WANG, Yong-sheng CHEN, Wei WANG, Chen LIANG. Identification of the New Psychoactive Substance Eutylone[J]. Journal of Forensic Medicine, 2022, 38(4): 473-477.

Figures/Tables 8

References 11

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名称	分子式	[M+H]⁺理论质量数	[M+H]⁺实测质量数	保留时间/min	质量偏差/×10^-6
SKF_525A	C₂₃H₃₁NO₂	354.242 7	354.242 5	15.62	-0.56
未知样品	C₁₃H₁₇NO₃	236.128 1	236.127 7	7.30	-1.69

名称	分子式	[M+H]⁺理论质量数	[M+H]⁺实测质量数	保留时间/min	质量偏差/×10^-6
SKF_525A	C₂₃H₃₁NO₂	354.242 7	354.242 5	15.62	-0.56
未知样品	C₁₃H₁₇NO₃	236.128 1	236.127 7	7.30	-1.69

碳原子编号	化学位移（δ）/ ×10^-6	峰型	氢核数目	偶合常数（J）/ Hz	碳原子编号	化学位移（δ）/ ×10^-6	峰型	氢核数目	偶合常数（J）/ Hz
1	7.52	d	1	1.8	6	2.07	m	2	-
2	7.74	dd	1	8.4， 1.8	7	0.90	t	3	7.2
3	7.02	d	1	7.8	8	3.02~3.11	m	2	-
4	6.12	q	1	1.2	9	1.36	t	3	7.2
5	5.11	t	1	4.8

碳原子编号	化学位移（δ）/ ×10^-6	峰型	氢核数目	偶合常数（J）/ Hz	碳原子编号	化学位移（δ）/ ×10^-6	峰型	氢核数目	偶合常数（J）/ Hz
1	7.52	d	1	1.8	6	2.07	m	2	-
2	7.74	dd	1	8.4， 1.8	7	0.90	t	3	7.2
3	7.02	d	1	7.8	8	3.02~3.11	m	2	-
4	6.12	q	1	1.2	9	1.36	t	3	7.2
5	5.11	t	1	4.8

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