PMID- 24314521
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20140905
LR  - 20131209
IS  - 1872-6283 (Electronic)
IS  - 0379-0738 (Linking)
VI  - 233
IP  - 1-3
DP  - 2013 Dec 10
TI  - Impact of reaction parameters on the chemical profile of 
      3,4-methylenedioxymethamphetamine synthesized via reductive amination: target 
      analysis based on GC-qMS compared to non-targeted analysis based on GCxGC-TOF-MS.
PG  - 201-11
LID - S0379-0738(13)00417-9 [pii]
LID - 10.1016/j.forsciint.2013.09.009 [doi]
AB  - The most common clandestine manufacturing procedure for the ecstasy derivative 
      3,4-methylenedioxymethamphetamine (MDMA), is the reductive amination of 
      piperonylmethylketone (PMK) via platinum(IV) oxide/hydrogen. Deviations of the 
      reaction conditions during the synthesis may result in different chemical 
      profiles of the products. The chemical analysis of these profiles is an important 
      objective for forensic drug intelligence. In this work we studied the impact of a 
      systematic variation of the hydrogenation time, the reaction temperature and the 
      precursor batch on the resulting organic chemical profiles of the MDMA bases and 
      MDMA hydrochlorides. Target analysis was based on a gas chromatography mass 
      spectrometry (GC-MS) method which was harmonized during the European project 
      CHAMP.(2) In addition, samples were analyzed by comprehensive two-dimensional gas 
      chromatography time-of-flight mass spectrometry (GCxGC-TOFMS) and subjected to 
      non-targeted data analysis for a comprehensive analysis of the complete profiles. 
      The reaction temperature, followed by the used precursor batch, revealed the 
      highest impact on the chemical profile. The effect on individual impurity 
      compounds is discussed in detail. With respect to the interpretation of the data, 
      the profiles were compared to the profiles of MDMA samples obtained by reductive 
      amination using sodium borohydride ("cold method") and aluminium/mercury amalgam 
      as alternative reducing agents. Non-targeted analysis revealed that the 
      discrimination according to the synthetic route and the batch of precursor used 
      for the synthesis strongly depends on the selected target compounds.
CI  - Copyright (c) 2013 Elsevier Ireland Ltd. All rights reserved.
FAU - Schaffer, M
AU  - Schaffer M
AD  - Comprehensive Molecular Analytics, Helmholtz Zentrum Munchen - German Research 
      Center for Environmental Health, Ingolstadter Landstr. 1, 85764 Neuherberg, 
      Germany; Chair of Analytical Chemistry, Institute of Chemistry, University of 
      Rostock, Dr.-Lorenz-Weg 1, 18059 Rostock, Germany.
FAU - Dieckmann, S
AU  - Dieckmann S
FAU - Putz, M
AU  - Putz M
FAU - Kohles, T
AU  - Kohles T
FAU - Pyell, U
AU  - Pyell U
FAU - Zimmermann, R
AU  - Zimmermann R
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20130914
PL  - Ireland
TA  - Forensic Sci Int
JT  - Forensic science international
JID - 7902034
OTO - NOTNLM
OT  - ATS
OT  - Comprehensive two-dimensional GC
OT  - Drug intelligence
OT  - Ecstasy
OT  - Impurity profiling
OT  - MDMA
EDAT- 2013/12/10 06:00
MHDA- 2013/12/10 06:01
CRDT- 2013/12/10 06:00
PHST- 2012/12/23 00:00 [received]
PHST- 2013/09/02 00:00 [revised]
PHST- 2013/09/04 00:00 [accepted]
PHST- 2013/12/10 06:00 [entrez]
PHST- 2013/12/10 06:00 [pubmed]
PHST- 2013/12/10 06:01 [medline]
AID - S0379-0738(13)00417-9 [pii]
AID - 10.1016/j.forsciint.2013.09.009 [doi]
PST - ppublish
SO  - Forensic Sci Int. 2013 Dec 10;233(1-3):201-11. doi: 
      10.1016/j.forsciint.2013.09.009. Epub 2013 Sep 14.