Identification of a Novel Synthetic Cathinone CMMP.

Q3 Medicine

法医学杂志 Pub Date : 2024-12-25 DOI:10.12116/j.issn.1004-5619.2024.340103

Si-Yang He, Qian-Ya Deng, Shui-Qing Zheng, Chun-Fang Ni, Wen-Juan Sun, Fang-Qi Cao, Chen Liang, Fei-Jun Gong

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引用次数: 0

Abstract

Objectives: To establish a method to identify an unknown substance based on the combined use of gas chromatography-quadrupole time-of-flight mass spectrometry (GC-QTOF-MS), ultra-high performance liquid chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry (UPLC-Q/Orbitrap HRMS)and nuclear magnetic resonance (NMR) techniques.

Methods: The unknown substance was dissolved in methanol and was detected by GC-QTOF-MS and UPLC-Q/Orbitrap HRMS, and was dissolved in methanol-d4 to be detected by NMR.

Results: The main characteristics ion peaks of components with retention time of 9.67 min in GC-QTOF-MS measured were 84.080 8, 110.999 7, 128.107 0 (base peak), 138.994 7, etc. The protonated molecular ion peak m/z in UPLC-Q/Orbitrap HRMS was 268.109 3. It was inferred that the unknown substance was an analog of the synthetic cathinone substance 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one (MTMP) by comparing the mass spectrum information and molecular structure of MTMP. NMR analysis confirmed it as a novel N-morpholine substituted synthetic cathinone substance 1-(4-chlorophenyl)-2-methyl-2-morpholinopropan-1-one (CMMP).

Conclusions: The method established in this study can be used for structural confirmation of CMMP.

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一种新型合成卡西酮CMMP的鉴定。

目的：建立气相色谱-四极杆飞行时间质谱（GC-QTOF-MS）、超高效液相色谱-四极杆/静电场轨道阱高分辨率质谱（UPLC-Q/ orbitrap HRMS）和核磁共振（NMR）联合鉴定未知物质的方法。方法：将未知物质溶解于甲醇中，采用GC-QTOF-MS和UPLC-Q/Orbitrap HRMS进行检测；将未知物质溶解于甲醇-d4中，采用NMR进行检测。结果：在GC-QTOF-MS中测定的保留时间为9.67 min的组分的主要特征离子峰分别为84.080 8、110.999 7、128.107 0（基峰）、138.994 7等。UPLC-Q/Orbitrap HRMS中质子化分子离子峰m/z为268.109 3。通过对合成的2-甲基-1-[4-（甲基硫）苯基]-2-morpholinopropan-1-one （MTMP）的质谱信息和分子结构的比较，推测该未知物质为类似物。核磁共振分析证实它是一种新的n-啉取代的合成卡西酮物质1-（4-氯苯基）-2-甲基-2-morpholinopropan-1-one （CMMP）。结论：本研究建立的方法可用于CMMP的结构确证。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

法医学杂志 Medicine-Pathology and Forensic Medicine

CiteScore

1.50

自引率

0.00%

发文量

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