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Wiley Mass Spectra of Designer Drugs 2025

Wiley Mass Spectra of Designer Drugs 2024
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Description

2025, by Peter Rösner

Designer drugs are constantly evolving, and in order to keep up, you need access to the most recent spectral data.

Updated annually, Mass Spectra of Designer Drugs remains the most comprehensive MS collection of designer drugs, pharmaceuticals, chemical warfare agents, and related substances. That's why forensic, clinical, and toxicological laboratories throughout the globe rely on this comprehensive high-quality spectral database to identify illicit substances fast.

This GC mass spectral library includes 36,360 mass spectra of 27,500 unique chemical compounds, including novel psychoactive substances, with detailed information and chemical structures for each entry. It includes data from both legal and underground literature, providing the most comprehensive picture of these compounds. Data are carefully compiled in cooperation with the Regional Departments of Criminal Investigation and other partners worldwide. As far as possible, spectra were verified by standard mass spectra libraries and checked by mass spectral interpretations.

The 2025 release features the addition of over 1,260 new mass spectra and over 780 new, unique compounds in classification groups such as fentanyles, various opioids, synthetic cannabinoids, and many more. Updated annually, this release covers designer drugs and related substances up to December 31, 2024.

Applications: This mass spectral library is a critical and essential resource for analytical chemists in forensic, clinical, and toxicological laboratories who support law enforcement authorities with their services. It’s used in both local and federal crime labs, medical examiner’s offices, border control, and just about anywhere forensic analysis takes place.

Specifications

  • Mass Spectra: 36,360 (with chemical structures)
  • Unique Compounds: 27,500
  • Measured Kovats Indices: 22,444
  • Average Quality Index/Spectrum (QI): 965
  • Opiates: 379
  • Fentanyls/Fentalogues: 3,439
  • Cannabinoids: 2,114
  • Controlled Compounds:
    • Schedule I: 1,284
    • Schedule II: 128
    • Schedule III: 285
    • Schedule IV: 87
    • Schedule V: 6

This mass spectral library is the most comprehensive of its kind and includes pharmaceutical, street drugs, and even related compounds like pesticides.

In this collection, you’ll find designer drugs and their isomers, precursors, derivatives, and metabolites, including androgens, cannabinoids, controlled compounds, depressants, hallucinogens, narcotics, piperazines, psychedelics, sedatives, and stimulants such as:

  • Fentanyl and fentalogues
  • Opioids
  • Amphetamines
  • Methylenedioxyphenethylamines
  • Phenethylamines
  • Indoles
  • Cathinones
  • Tryptamines
  • Benzodiazepines
  • Tropines
  • Barbiturates
  • Steroids

pie chart of compount types in database
2023 compounds

Contents and Compound Classes

Class\Edition 2025 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005
Total Compounds: 27500 26712 26195 25343 23879 22317 21649 20381 * 18823 16877 16343 15556 13420 * 10450 9436 8300 6029 4694 2959
Total Spectra: 36360 35094 34209 32855 31169 29371 28032 26459 * 23477 21013 20296 19037 16178 * 12312 11011 9658 7006 5531 3437
Experimental Kovats indices: 22444 22057 21923 21335 20102 18793 18017 17114 12728 12175 11,061 8607 * 5866 4957 3892 2159
Average peaks per spectrum: * * * * 174.3 172.4 169.5 162.4 * 161 160 156 152
Average Quality Index: 965 965 964 960 955.6 950.0 * * 945.5 943 942.4 940.5 935.7 * 938 932 930 925

(* not recorded)

Supported Formats

Compatible with:

  • Agilent ChemStation/MassHunter/PCD (.L), OpenLab (NIST MS Search)
  • NIST MS Search
  • PerkinElmer TurboMass (NIST MS Search)
  • Thermo Xcalibur. TraceFinder/Chromeleon/Compound Discoverer (NIST MS Search)
  • Waters MassLynx (NIST MS Search)
  • Bruker MS Workstation (NIST MS Search)
  • Chromatec Analytic (NIST MS Search)
  • Leco ChromaTOF,
  • JEOL msFineAnalysis,
  • Scion MS Workstation
  • (does not include Shimadzu)

USB drive shipped.

About the Authors

Author Peter Rösner studied chemistry, pharmacology, and toxicology at the University of Kiel. In 1982, he joined the regional department of criminal investigation in Kiel and became the leader of the toxicology department, focusing on drug identification and structure elucidation with GC/MS. Since 1992, he has been a lecturer in mass spectrometry at the University of Kiel. Dr. Rösner received the Jean-Servais-Stas Award from the Society of Toxicological and Forensic Chemistry on April 15, 2005 in honor of his outstanding work on daughter ion mass spectroscopy and mass spectral databases.

See Also

Combatting Designer Drugs Head On (remote), Chemistry Views, May 2012, Sewall

"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."

Designer Drugs 2025, USB
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ISBN: 978-3-527-35390-3 (2024), 978-3-527-35393-4 (2024 upgrade), 978-3-527-35288-3 (2023), 978-3-527-35287-6 (2023 upgrade), 978-3-527-35078-0 (2022), 978-3-527-35079-7 (2022 upgrade), 978-3-527-35006-3 (2021), 978-3-527-35007-0 (2021 upgrade), 978-3-527-34813-8 (2020), 978-3-527-34814-5 (2020 upgrade), 978-3-527-34685-1 (2019), 978-3-527-34684-4 (2019 upgrade), 978-3-527-34527-4 (2018), 978-3-527-34528-1 (2018 upgrade), 978-3-527-34379-9 (2017), 978-3-527-34380-5 (2017 upgrade), 978-3-527-34208-2 (2016), 978-3-527-34209-9 (2016 upgrade), 978-3-527-33982-2 (2015), 978-3-527-33983-9 (2015 upgrade), 978-3-527-33795-8 (2014), 978-3-527-33796-5 (2014 upgrade), 978-3-527-33400-1 (2013), 978-3-527-33401-8 (2013 upgrade), 978-3-527-33332-5 (2012), 978-3-527-33333-2 (2012 upgrade), 978-3-527-32833-8 (2011), 978-3-527-32834-5 (2011 upgrade), 978-3-527-32725-6 (2010), 978-3-527-32726-3 (2010 upgrade), 978-3-527-32392-0 (2009), 978-3-527-32393-7 (2009 upgrade), 978-3-527-31899-5 (2008), 978-3-527-31979-4 (2007), 978-3-527-31980-0 (2007 Upgrade), 9783527321476 (2007 CD-ROM+Print).