法医学杂志

法医学杂志 ›› 2021, Vol. 37 ›› Issue (4): 511-515，523.DOI: 10.12116/j.issn.1004-5619.2021.310305

所属专题： 新精神活性物质

• 专题 • 上一篇    下一篇

高分辨质谱联合核磁共振波谱技术鉴定色胺类新精神活性物质4-OH-MET和4-AcO-DMT

丁珂然1， 倪春芳2， 何思阳2， 王跨陡2， 邓乾亚2， 梁晨2   

  1. 1. 复旦大学药学院，上海 201203； 2. 上海市公安局物证鉴定中心，上海 200083
  • 发布日期:2021-08-25 出版日期:2021-08-28
  • 通讯作者: 梁晨，女，高级工程师，主要从事毒品毒物检验鉴定研究；E-mail：morning_liangch@163.com
  • 作者简介:丁珂然（1996—），女，硕士研究生，主要从事毒品毒物检验鉴定研究；E-mail：keran_ding@163.com

Identification of New Psychoactive Tryptamines 4-OH-MET and 4-AcO-DMT Using High Resolution Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy

DING Ke-ran1, NI Chun-fang2, HE Si-yang2, WANG Kua-dou2, DENG Qian-ya2, LIANG Chen2   

  1. 1. School of Pharmacy, Fudan University, Shanghai 201203, China; 2. Institute of Forensic Science, Shanghai Public Security Bureau, Shanghai 200083
  • Online:2021-08-25 Published:2021-08-28

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摘要： 目的 利用高分辨质谱和核磁共振波谱技术检测涉毒案件中涉及的未列管的色胺类新精神活性物质。 方法 将实际案例中缴获的白色和褐色粉末经提取后使用气相色谱-四极杆飞行时间质谱（gas chromatography-quadrupole time-of-flight mass spectrometry，GC-QTOF-MS）、超高效液相色谱-线性离子阱-四极杆-轨道阱质谱（ultra-high performance liquid chromatography-linear ion trap quadrupole-orbitrap mass spectrometry，UPLC-LTQ-Orbitrap MS）和核磁共振氢谱（1H-nuclear magnetic resonance spectroscopy，1H-NMR）等方法进行分析。 结果 白色粉末经GC-QTOF-MS检测，组分的主要特征碎片离子峰有m/z 218.141 0（分子离子峰）、72.080 6（基峰）等；经UPLC-LTQ-Orbitrap MS检测，质子化分子离子为m/z 219.149 4，碰撞诱导解离模式下主要的二级质谱离子有m/z 160.076 3、72.080 8。褐色粉末经GC-QTOF-MS检测，组分的主要特征碎片离子峰有m/z 246.135 7（分子离子峰）、58.065 1（基峰）等；经UPLC-LTQ-Orbitrap MS检测，质子化分子离子为m/z 247.145 0，碰撞诱导解离模式下主要的二级质谱离子有m/z 202.087 1、160.076 3、134.060 5。经NIST 17谱库检索和1H-NMR共同确认白色粉末和褐色粉末分别含有色胺类新精神活性物质N-甲基-N-乙基-4-羟基色胺（4-OH-MET）和N，N-二甲基-4-乙酰氧基色胺（4-AcO-DMT）。 结论 GC-QTOF-MS、UPLC-LTQ-Orbitrap MS和1H-NMR多种方法联合应用可对未知的新精神活性物质进行鉴定。

关键词: 法医学；毒物分析；新精神活性物质；色胺类；气相色谱-四极杆飞行时间质谱；超高效液相色谱-线性离子阱-四极杆-轨道阱质谱；核磁共振氢谱；N-甲基-N-乙基-4-羟基色胺；N, N-二甲基-4-乙酰氧基色胺

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.

Key words: 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）, 1H-nuclear magnetic resonance spectroscopy （1H-NMR）, 4-OH-MET, 4-AcO-DMT

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