Mass Spectra of Designer Drugs 2010

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 2010 cover the entire range of designer drugs up to December 2009.

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

• 10,450 chemical compounds
• 12,312 mass spectra, about 1,300 more spectra than in the 2009 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: 5866
• Calculated Kovats indices
• Now added as separate data collection: about 6,000 ESI LC-MS/MS apectra of 500 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: 1030
methylenedioxyphenethylamines: 533
phenethylamines: 1340
tryptamines: 317
piperazines: 361
opiates: 233
fentanyles: 320
cathinones: 267
phencyclidines: 14
tropines: 73
indoles: 145
barbiturates: 58
cannabinoids: 84
cannabimimetics: 57
steroids: 63
arylpropan-2-amines: 109
arylbutan-2-amines: 394
1-aryl-2-nitro-ethenes: 41
1-aryl-2-nitroprop-1-enes: 65
1-aryl-2-nitrobut-1-ene: 44
benzaldehydes: 141
designer drug isomers: 606
derivatives: 3587
metabolites incl. derivatives: 2596
chemical warfare agents: 67
designer drug precursors: 639
benzodiazepines: 238
pharmaceutical drugs incl. metabolites: 3357
pesticides: 199
explosives: 25
controlled compounds: 1148

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