Mass Spectra of Designer Drugs 2011

Mass Spectra of Designer Drugs 2011

Product Information
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 drugs is a difficult task for forensic chemists and toxicologists.
The Designer Drugs 2011 cover the entire range of designer drugs up to December 2010.
Carefully compiled by the mass spectral experts at the Regional Departments of Criminal Investigation in Kiel, Hamburg, and Wiesbaden, Germany, this database includes:

• over 11,947 chemical compounds
• over 14,096 mass spectra, about 1,800 more spectra than in the 2010 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: 165
• Average Quality Index: 938
• Experimental Kovats indices: over 7,244
• Calculated Kovats indices
• Added as separate data collection: more than 9,653 ESI LC-MS/MS spectra of 750 compounds

The MS/MS data are a valuable and complementary supplement to the EI GC/MS collection. The MS/MS data have been acquired under standardized conditions and are fully searchable.

Compound Classes
Number of amphetamines: 1061
Number of methylenedioxyphenethylamines: 548
Number of phenethylamines: 1525
Number of tryptamines: 336
Number of piperazines: 871
Number of opiates: 236
Number of fentanyles: 319
Number of cathinones: 301
Number of phencyclidines: 16
Number of tropines: 77
Number of indoles: 161
Number of barbiturates: 61
Number of cannabinoids: 140
Number of cannabimimetics: 118
Number of steroids: 107
Number of arylpropan-2-amines: 133
Number of arylbutan-2-amines: 397
Number of 1-aryl-2-nitro-ethenes: 41
Number of 1-aryl-2-nitroprop-1-enes: 64
Number of 1-aryl-2-nitrobut-1-ene: 44
Number of benzaldehydes: 143
Number of designer drug isomers: 815
Number of derivatives: 4051
Number of metabolites incl. derivatives: 2860
Number of chemical warfare agents: 71
Number of designer drug precursors: 661
Number of benzodiazepines: 257
Number of pharmaceutical drugs incl. metabolites: 3872
Number of pesticides: 287
Number of explosives: 25
Number of controlled compounds: 1287

Available Database Formats
ACD; Agilent Chemstation; NIST MSSEARCH; Finnigan GCQ, SSQ, TSQ, ICIS, INCOS, Iontrap, ITS40, Magnum; INCOS; PE Turbomass; Shimadzu QP-5000; Thermo Galactic SpectralID; Varian Saturn;VG Labbase, Masslab; Waters Masslynx; Xcalibur

Market
Criminal Investigation Departments, Forensic Scientists, Toxicologists, Clinical Chemists, Investigating Authorities, Analytical Laboratories, Army

Editors

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.

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 spectrometry in the toxicology department at the Landeskriminalamt in Kiel. His contribution was essential in building up a daughter ion mass spectral data base for the structure eludication of new designer drugs.

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.

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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Last Update: 23-Feb-2012