Identification of a Novel Synthetic Cathinone CMMP

ObjectiveTo 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/Orb...

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Bibliographic Details
Main Authors: HE Si-yang, DENG Qian-ya, ZHENG Shui-qing, NI Chun-fang, SUN Wen-juan, CAO Fang-qi, LIANG Chen, GONG Fei-jun
Format: Article
Language:zho
Published: Editorial Office of Journal of Forensic Medicine 2024-12-01
Series:Fayixue Zazhi
Subjects:
Online Access:http://www.fyxzz.cn/CN/10.12116/j.issn.1004-5619.2024.340103
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Summary:ObjectiveTo 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.MethodsThe 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.ResultsThe 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).ConclusionThe method established in this study can be used for structural confirmation of CMMP.
ISSN:1004-5619