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采用正电喷雾电离和源内碰撞诱导解离分析苯丙胺样卡他酮衍生物。

The analysis of amphetamine-like cathinone derivatives using positive electrospray ionization with in-source collision-induced dissociation.

机构信息

Forensic Science Laboratory, Garda HQ, Dublin 8, Ireland.

出版信息

Rapid Commun Mass Spectrom. 2012 Nov 30;26(22):2601-11. doi: 10.1002/rcm.6383.

Abstract

RATIONALE

Amphetamine-like cathinone derivatives have become popular as recreational drugs over the past several years but their identification for forensic purposes is made difficult as they undergo extensive fragmentation under commonly used electron ionization (EI) conditions to afford ambiguous mass spectra. To overcome this, the feasibility of using positive electrospray ionization (ESI) with in-source collision-induced dissociation (CID) to produce distinguishable product ion mass spectra was examined.

METHODS

A set of six homologous cathinone derivatives was analyzed using an LTQ/Orbitrap™ high-resolution mass spectrometer to establish if there are any commonalities or uniqueness in their mass spectra. These compounds and a number of other cathinone derivatives were also analyzed on a single quadrupole mass spectrometer to establish the feasibility of using in-source CID for their identification in forensic drug samples.

RESULTS

The ESI product ion mass spectra of the M + H ions of six model compounds were found to be readily interpretable and product ion formation pathways are presented. The use of such mass spectral data in the analysis of forensic drug samples facilitated the discrimination of closely related cathinone derivatives that were difficult to distinguish using conventional gas chromatography/electron ionization mass spectrometry. A product ion mass spectral library of 22 commonly encountered cathinone derivatives was also developed.

CONCLUSIONS

It has been shown that the product ion ESI mass spectra of cathinone derivatives are readily interpretable and are useful for the identification of this drug group in forensic samples.

摘要

原理

在过去的几年中,安非他命样的去甲伪麻黄碱衍生物作为娱乐性药物变得流行起来,但由于它们在常用的电子电离 (EI) 条件下会经历广泛的碎片化,从而产生模糊的质谱,因此它们的鉴定变得困难。为了克服这一困难,研究了使用正电喷雾电离 (ESI) 与源内碰撞诱导解离 (CID) 产生可区分的产物离子质谱的可行性。

方法

使用 LTQ/Orbitrap™高分辨率质谱仪分析了一组六种同源去甲伪麻黄碱衍生物,以确定它们的质谱是否存在任何共性或独特性。还在单四极杆质谱仪上分析了这些化合物和一些其他去甲伪麻黄碱衍生物,以确定在法医药物样本中使用源内 CID 进行鉴定的可行性。

结果

发现六种模型化合物的[M + H]+离子的 ESI 产物离子质谱很容易解释,并提出了产物离子形成途径。在法医药物样本的分析中使用这种质谱数据有助于区分难以用常规气相色谱/电子电离质谱区分的密切相关的去甲伪麻黄碱衍生物。还开发了一个包含 22 种常见去甲伪麻黄碱衍生物的产物离子质谱谱库。

结论

结果表明,去甲伪麻黄碱衍生物的产物离子 ESI 质谱很容易解释,并且可用于法医样本中此类药物组的鉴定。

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