Wiley Mass Spectra of Designer Drugs 2019

Description

2020, by Peter Rösner

Mass Spectra of Designer Drugs is the largest collection of chemical signatures of NPS and drugs of abuse in the world. This impressive mass spectral library was developed to support forenscs and toxicology labs to combat this global health epidemic.

The 2019 edition features the addition of over 1,300 new mass spectra and over 700 new, unique compounds in over 30 different classification groups such as fentanyls synthetic cannabinoids, and opiates.

With an average quality index per spectrum of 951.0 and 18,793 kovats retention indices, this spectral library provides comprehensive data on the most up-to-date list of novel psychoactive substances.

Updated annually, the 2020 edition covers the range of known novel psychoactive substances through December 31, 2019. Upgrades are available for purchasers of prior editions.

Specifications

• Mass Spectra: 29,317
• Chemical Structures: 29,371
• Unique Compounds: 22,371
• Measured Kovats Indices: 18,793
• Opiates: 354
• Fentanyls: 1440
• Cannibiminetics: 1033
• Canniboids: 111
• Average Quality Index/Spectrum (QI): 951.0

Data (2018) were acquired on a GCMS TSQ 700, Autosampler CTC PAL A200 SE, split/splitless injector inlet, DB-1 30 m 0.32 mm x 0.25 µm (J&W), Helium in constant linear velocity mode (35 cm/s) carrier gas, with an oven temperature of 80 ºC to 280 ºC at 15 ºC/min. Ion source temperature 150 ºC, interface temperature 280 ºC, scan range 30-800 u, EI 70 eV.

Contents and Compound Classes

(* not recorded)

Available Database Formats

The 2019 edition is compatible with leading manufacturer formats such as:

• Agilent ChemStation, MassHunter
• Bruker MS Workstation
• Chromatec Analytic
• JEOL msFineAnalysis
• LECO ChromaTOF
• NIST MS Search
• PerkinElmer TurboMass
• Scion MS Workstation
• Shimadzu GCMSsolution
• Thermo Chromeleon, TraceFinder, Xcalibur
• Waters MassLynx

Other versions available:

• ACD/Labs ACD/Spectrus Processor
• Bio-Rad KnowItAll®
• Wiley Spectra Lab

About the Authors

Peter Rösner 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 (University of Applied Science of Lübeck, Germany) has been a specialist for daughter ion mass spectroscopy in the toxicology department at the Landeskriminalamt in Kiel since 1985. His contribution was essential in building a mass spectral daughter ion data base for the structure eludication of new designer drugs. Folker Westphal (University of Leipzig, Germany). 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 (Universities of Mainz and Karlsruhe, Germany). Since 1978 he has served at the Landeskriminalamt in Wiesbaden as a forensic expert for toxicological analysis, focusing on the structure elucidation of new designer drugs.

See Also

"Before a mass spectrum of a compound enters Mass Spectra of Designer Drugs, it is examined by at least three experienced mass spectrometrists skilled in mass spectral interpretations. Any single electron ionization mass spectrum additionally passes through an incorruptible computerized process. This digital evaluation process ends with the calculation of Quality Index for Reference Mass developed by Professor Fred W. McLafferty. This quality index (QI) is a numerical value between 0 and 1000 and the product of seven quality factors. In only rare cases such as ion trap spectra, metabolites, very compact molecules, or an uncommon substance-specific fragmentation, are spectra with a quality index below 900 accepted."