Mass Spectra of Designer Drugs 2021

Technique: GC-MS

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Mass Spec Database Developed to Help Combat the Global Opioid Health Epidemic

Mass Spectra of Designer Drugs is the most comprehensive MS collection of designer drugs, pharmaceuticals, chemical warfare agents, and related substances. 

The MS database includes 31,169 mass spectra of 23,879 unique chemical compounds with detailed information and chemical structures for each entry. It includes data taken 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 as well with other cooperation partners worldwide. As far as possible, spectra were verified by standard mass spectra libraries and checked by mass spectral interpretations.

What's New in the 2021 Release?

The 2021 release features the addition of nearly 1,700 new mass spectra and over 1,500 new, unique compounds in classification groups such as fentanyls, synthetic cannabinoids, and many more. With an average quality index per spectrum of 955.6 and 20, 102 Kovats retention indices, this spectral library provides comprehensive data on the most up-to-date list of novel psychoactive substances (NPS). Updated annually, the 2021 release covers designer drugs and related substances up to December 31, 2020.

Applications for this MS Library

This database 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.

About the Author

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.

Library Specifications

  • Mass Spectra: 31,169
  • Chemical Structures: 31,169
  • Unique Compounds: 23,879
  • Measured Kovats Indices: 20,102
  • Average Quality Index/Spectrum (QI): 955.6
  • Opiates: 351
  • Fentanyls/Fentalogues: 2,240
  • Cannabimimetics: 1,086
  • Cannabinoids: 112

See more in “Compound Coverage”


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Compound Coverage

This database is the most comprehensive of its kind and includes pharmaceutical and street drugs covering classes such as designer drugs, fentalogues, designer drug precursors, fentanyl, opioid, cathinone analog, cannabimimetic, hallucinogens, narcotic analgesics, herbicides, antidepressants, tranquilizers, insecticides, hypnotics, antihistaminic, chemotherapeutic, cannabis ingredient derivative, stimulant, sedative,  vasodilator, and many, many more. It is considered a critical forensic and toxicology mass spectrometry library.

Compound coverage can be searched at

* Such as, but not limited to herbicides, antidepressants, tranquilizer, insecticide, hypnotic, fentanyl opioid precursor, phenethylamine analog, local anesthetic, analgesic, etc.