Mass and NMR spectroscopic characterization of 3,4-methylenedioxypyrovalerone: A designer drug with α-pyrrolidinophenone structure

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• 作者：Folker Westphal ; Thomas Junge ; Peter Rö ; sner ; Frank Sö ; nnichsen ; Frank Schuster
• 关键词：Designer drugs ; Pyrrolidinophenone ; Structure elucidation ; Mass spectrometry ; Product ion mass spectrometry ; NMR
• 刊名：Forensic Science International
• 出版年：2009
• 出版时间：10 September 2009
• 年：2009
• 卷：190
• 期：1-3
• 页码：1-8
• 全文大小：641 K

文摘

This study presents and discusses the nuclear magnetic resonance (NMR) spectroscopic and mass spectroscopic data of the designer drug 3,4-methylenedioxypyrovalerone (MDPV), a drug variant of pyrovalerone. MDPV was first seized in Germany in the year 2007. The structure elucidation of the aliphatic part of MDPV was carried out by product ion spectroscopy of the immonium ion with m/z 126 formed after electron ionization, and by 1D ¹H and ¹³C NMR spectroscopy. Additional two-dimensional NMR spectroscopy was used to verify the structure of the alkyl side chain, and to determine the methylenedioxy position in the aromatic ring.