Wiley expands forensic drug database for faster identification of designer drugs

The 2026 release of Mass Spectra of Designer Drugs has added more than 700 mass spectra and more than 400 unique compounds to support forensic, toxicology and drug surveillance laboratories as novel psychoactive substances continue to evolve

Wiley has announced its 2026 release of Mass Spectra of Designer Drugs, a gas chromatography–mass spectrometry spectral database that can be used by forensic laboratories to identify illicit and emerging substances more rapidly.

The updated database has been developed to support forensic, clinical, toxicological and drug surveillance workflows at a time when novel psychoactive substances continue to present serious analytical and public health challenges. These substances include synthetic cannabinoids, fentanyl analogues, nitazene opioids, xylazine-related compounds, pharmaceutical drugs and metabolites, derivatives and other compounds reported through legal and underground sources.

The 2026 release includes more than 700 additional mass spectra and more than 400 unique compounds. Wiley said the latest additions span important drug classification groups, including nitazenes, fentanyl variants, synthetic opioids, other opioid compounds and synthetic cannabinoids. The database now contains 37,075 mass spectra representing 27,900 unique chemical entities. The 2026 version covers designer drugs and related substances that had been reported in the USA up to 31 December 2025.

Gas chromatography–mass spectrometry is widely used in forensic analysis because it can separate complex chemical mixtures and provide characteristic mass spectral patterns that help analysts to identify unknown substances. In drug analysis, the quality and breadth of the reference library are critical, as illicit drug markets can change quickly and laboratories may encounter compounds that differ only subtly from known substances.

Wiley said Mass Spectra of Designer Drugs had been engineered for the specific demands of forensic and toxicology laboratories and was compatible with most major mass spectrometry systems. It is also available as a KnowItAll database subscription. When used with Wiley’s KnowItAll software, the database provides access to forensic tools including drug classification models and Wiley’s patented mass spectrometry adaptive search technology which is designed to accelerate the identification and interpretation of known, novel and unusual compounds.

“The 2026 release [gives] laboratories the high-quality data they need to quickly and confidently identify emerging designer drugs,” said Graeme Whitley, senior director of data science solutions at Wiley. 

“Directly [supporting] forensic and public health efforts as novel harmful substances continue to appear,” he added.

The database has been compiled in collaboration with US Regional Departments of Criminal Investigation and other partners worldwide. Wiley said the data had been checked, where possible, against standard mass spectral libraries and reviewed through mass spectral interpretation. Each entry includes detailed information and chemical structures to help laboratories compare, classify and report substances with greater certainty.

Designer drugs present a continuing challenge for analytical chemists because their chemical structures can be altered to evade detection, complicate legal classification or produce novel pharmacological effects. Synthetic opioids, in particular, have created major concerns for public health authorities because some compounds can be highly potent at very low concentrations. Reliable reference spectra can therefore play an important role in law enforcement investigations, border control, medico-legal casework and wider public health surveillance.

Wiley said its scientific databases were processed according to rigorous protocols, with quality procedures that began at data acquisition and continued throughout database development. 

The company described the 2026 release as a resource for laboratories that need current, high-quality spectral data to keep pace with fast-changing illicit drug markets. By expanding coverage of fentanyl-related compounds, nitazene opioids, cannabinoids and other emerging substances, the updated database is intended to help analysts identify dangerous compounds more quickly and support evidence-based responses from forensic, clinical and public health authorities.

Learn more at: https://sciencesolutions.wiley.com/solutions/technique/gc-ms/mass-spectra-of-designer-drugs/