Mass Spectra of Designer Drugs 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 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 12,000 chemical compounds
- over 14,000 mass spectra, about 1,700 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: 161
- Average Quality Index: 938
- Experimental Kovats indices: over 6,000
- Calculated Kovats indices
- Added as separate data collection: more than 10,000 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:

amphetamines: 904
methylenedioxyphenethylamines: 514
phenethylamines: 1032
tryptamines: 243
piperazines: 356
opiates: 146
fentanyles: 240
cathinones: 98
phencyclidines: 14
barbiturates: 56
arylpropan-2-amines: 102
arylbutan-2-amines: 386
1-aryl-2-nitro-ethenes: 41
1-aryl-2-nitroprop-1-enes: 64
1-aryl-2-nitrobut-1-ene: 45
benzaldehydes: 144
benzodiazepines: 218
designer drug isomers: 375
derivatives: 3258
metabolites incl. derivatives: 2366
chemical warfare agents: 67
designer drug precursors: 588
pharmaceutical drugs incl. metabolites: 3132
pesticides: 166
explosives: 24
controlled compounds: 1043

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