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

被引：55

作者：

Westphal, Folker ^{[1
]}

Junge, Thomas ^{[1
]}

Roesner, Peter ^{[2
]}

Soennichsen, Frank ^{[2
]}

Schuster, Frank ^{[3
]}

机构：

[1] Sachgebiet Toxikol Betaubungsmittel, Landeskriminalamt Schleswig Holstein, D-24116 Kiel, Germany

[2] Univ Kiel, Otto Diels Inst Organ Chem, D-24098 Kiel, Germany

[3] Landeskriminalamt Sachsen, D-01129 Dresden, Germany

来源：

FORENSIC SCIENCE INTERNATIONAL | 2009年 / 190卷 / 1-3期

关键词：

Designer drugs; Pyrrolidinophenone; Structure elucidation; Mass spectrometry; Product ion mass spectrometry; NMR; TOXICOLOGICAL DETECTION; REGIOISOMERIC DIFFERENTIATION; SPECTROMETRY; METABOLISM; RAT; IDENTIFICATION; PYROVALERONE; SPECTRA;

D O I：

10.1016/j.forsciint.2009.05.001

中图分类号：

DF [法律]; D9 [法律]; R [医药、卫生];

学科分类号：

0301 ; 10 ;

摘要：

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 (1)H and (13)C 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. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

引用

页码：1 / 8

页数：8

共 34 条

[1] H-1 AND C-13 ASSIGNMENTS FROM SENSITIVITY-ENHANCED DETECTION OF HETERONUCLEAR MULTIPLE-BOND CONNECTIVITY BY 2D MULTIPLE QUANTUM NMR
BAX, A
SUMMERS, MF
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (08) : 2093 - 2094
[2] Synthesis of 2,3-and 3,4-methylenedioxyphenylalkylamines and their regioisomeric differentiation by mass spectral analysis using GC-MS-MS
Borth, S
Hänsel, W
Rösner, P
Junge, T
[J]. FORENSIC SCIENCE INTERNATIONAL, 2000, 114 (03) : 139 - 153
[3] Borth S, 2000, J MASS SPECTROM, V35, P705, DOI 10.1002/1096-9888(200006)35:6<705::AID-JMS997>3.0.CO
[4] 2-3
[5] The characterization of some 3,4-methylenedioxycathinone (MDCATH) homologs
DalCason, TA
[J]. FORENSIC SCIENCE INTERNATIONAL, 1997, 87 (01) : 9 - 53
[6] A ROUND ROBIN ON THE REPRODUCIBILITY OF STANDARD OPERATING-CONDITIONS FOR THE ACQUISITION OF LIBRARY MS/MS SPECTRA USING TRIPLE QUADRUPOLES
DAWSON, PH
SUN, WF
[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1984, 55 (02): : 155 - 170
[7] Derome A.E., 1991, MODERN NMR TECHNIQUE
[8] 3 FATAL DRUG OVERDOSES INVOLVING BUPROPION
FRIEL, PN
LOGAN, BK
FLIGNER, CL
[J]. JOURNAL OF ANALYTICAL TOXICOLOGY, 1993, 17 (07) : 436 - 438
[9] FRITSCHI G, 2001, 12 GTFCH S MOSB VERL, P119
[10] Fritschi Giselher, 1997, Archiv fuer Kriminologie, V200, P8

← 1 2 3 4 →