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Mass Spectra of Designer Drugs 2012

March 15, 2012. Weinheim, Germany – Wiley-VCH Verlag GmbH & Co. KGaA has announced the availability of Mass Spectra of Designer Drugs 2012, covering illicit and illegal designer drugs up to December 2011.

Compounds classified as designer drugs have been synthesized since the early 1980s. This is not a precise scientific term and should only be applied to those drugs that are synthesized from common chemicals and skillfully marketed under attractive, often exotic names.

The last decade has seen a proliferation of such substances, such that keeping abreast of this huge number of new compounds. The data is taken from both legal and underground literature, providing the most comprehensive picture of these compounds worldwide. Edited by Dr. Peter Rösner, Mass Spectra of Designer Drugs 2012 updates previous editions of the database, and is updated annually.

Carefully compiled by the mass spectral experts at the Regional Departments of Criminal Investigation in Kiel, Hamburg, and Wiesbaden, Germany, this database includes:

  • 13,420 chemical compounds
  • 16,178 mass spectra, 2,082 more spectra than in the 2011 edition
  • Chemical structures
  • Chemical warfare agents, added due to the interest in homeland security
  • Data taken from both legal and underground literature, providing the most comprehensive picture of these compounds
  • Average peaks per spectrum: 162
  • Average Quality Index: 936
  • Experimental Kovats indices: 8,607
  • Calculated Kovats indices
  • Compound classes:
  • amphetamines
  • methylenedioxyphenethylamines
  • phenethylamines
  • tryptamines
  • piperazines
  • opiates
  • fentanyles
  • cathinones
  • phencyclidines
  • tropines
  • indoles
  • barbiturates
  • cannabinoids
  • cannabimimetics
  • steroids
  • arylpropan-2-amines
  • arylbutan-2-amines
  • 1-aryl-2-nitro-ethenes
  • 1-aryl-2-nitroprop-1-enes
  • 1-aryl-2-nitrobut-1-ene
  • benzaldehydes
  • designer drug isomers
  • derivatives
  • metabolites incl. derivatives
  • chemical warfare agents
  • designer drug precursors
  • benzodiazepines
  • pharmaceutical drugs incl. metabolites
  • pesticides
  • explosives
  • controlled compounds

In an effort to provide speed and accuracy, Compound Search structure search provides identity searching, but does not include substructure searching. To access Compound Search, bookmark http://www.compoundsearch.com/ on desktop and mobile browsers.

About the Author

Peter Rösner (born 1944) studied Chemistry at the University of Kiel (Germany). In 1981 he became head of the toxicology department at the state agency of criminal investigation (Landeskriminalamt) in Kiel, where he focuses on drug identification and structure elucidation with GC/MS methods. Since 1992 he has also been a lecturer for mass spectrometry at the University of Kiel. In 2005, Dr. Rösner received the Jean-Servais-Stas Award from the Society of Toxicological and Forensic Chemistry in honor of his outstanding work in forensic sciences.[Soft Break]Thomas Junge (born 1959) studied Technical Chemistry at the University of Applied Science of Lübeck (Germany). Since 1985 he has been a specialist for daughter ion mass spectroscopy in the toxicology department at the Landeskriminalamt in Kiel. His contribution was essential in building a mass spectral daughter ion data base for the structure eludication of new designer drugs.[Soft Break]Folker Westphal (born 1965) studied Chemistry at the Universities of Hannover and Kiel (Germany), and also holds a degree as Special Chemist for Toxicology from the University of Leipzig. From 1999 to 2004 he worked at the Institute of Legal Medicine in Kiel as forensic scientist. Since 2004 he is leader of the section "Analysis of Drugs of Abuse and Forensic Toxicology" at the Landeskriminalamt in Kiel.[Soft Break]Giselher Fritschi (born 1944) studied Chemistry at the Universities of Mainz and Karlsruhe (Germany). After a postdoc year at the University of Marburg he joined the Bundesgesundheitsamt (Federal Health Office) in Frankfurt. In 1978 he changed to the Landeskriminalamt in Wiesbaden as forensic expert for toxicological analysis, focusing on the structure elucidation of new designer drugs.

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