Technical note: N-Isopropylbutylone unveiled – Differentiating the new synthetic cathinone in ecstasy from its close analogues with GC-MS and NMR spectroscopy

IF 2.2 3区医学 Q1 MEDICINE, LEGAL

Forensic science international Pub Date : 2025-03-16 DOI:10.1016/j.forsciint.2025.112448

Hui Zhi Shirley Lee, Mei Ching Ong, Jong Lee Wendy Lim, Tiong Whei Angeline Yap

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引用次数: 0

Abstract

N-Isopropylbutylone, a novel synthetic cathinone, was identified in an ecstasy tablet bearing a "SUPERMAN" logo imprint, alongside methamphetamine and ketamine. The laboratory employed two orthogonal analytical techniques – gas chromatography with electron ionisation mass spectrometry (GC-EI-MS) and nuclear magnetic resonance (NMR) spectroscopy to determine the identity of the novel drug present. The identification of N-isopropylbutylone was challenging due to its mass spectral similarities with structural isomers, particularly N-propylbutylone. Multiple NMR experiments such as correlation spectroscopy (COSY), distortionless enhancement by polarisation transfer (DEPT), heteronuclear multiple quantum coherence (HMQC), and heteronuclear multiple bond correlation (HMBC) were utilised to unequivocally confirm the structure. The findings highlight the importance of orthogonal analytical techniques in identifying new psychoactive substances and underscore the ongoing challenges in forensic drug analysis.

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技术说明：n -异丙基丁酮揭幕-用气相色谱-质谱和核磁共振光谱将摇头丸中的新合成卡西酮与其相近的类似物区分开来

n -异丙基丁酮，一种新型合成卡西酮，与甲基苯丙胺和氯胺酮一起，在一种带有“超人”标志印记的摇头丸片中被鉴定出来。该实验室采用了两种正交分析技术——气相色谱-电子电离质谱（GC-EI-MS）和核磁共振（NMR）光谱来确定存在的新型药物的身份。由于n -异丙基丁酮与结构异构体，特别是n -丙基丁酮的质谱相似，鉴定具有挑战性。多重核磁共振实验，如相关光谱（COSY）、极化转移无扭曲增强（DEPT）、异核多重量子相干（HMQC）和异核多重键相关（HMBC），被用来明确地确认该结构。这些发现突出了正交分析技术在鉴定新的精神活性物质中的重要性，并强调了法医药物分析中正在面临的挑战。

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

Forensic science international 医学-医学：法

CiteScore

5.00

自引率

9.10%

发文量

285

审稿时长

49 days

期刊介绍： Forensic Science International is the flagship journal in the prestigious Forensic Science International family, publishing the most innovative, cutting-edge, and influential contributions across the forensic sciences. Fields include: forensic pathology and histochemistry, chemistry, biochemistry and toxicology, biology, serology, odontology, psychiatry, anthropology, digital forensics, the physical sciences, firearms, and document examination, as well as investigations of value to public health in its broadest sense, and the important marginal area where science and medicine interact with the law. The journal publishes: Case Reports Commentaries Letters to the Editor Original Research Papers (Regular Papers) Rapid Communications Review Articles Technical Notes.