LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites

A major goal in clinical and forensic as well as in doping laboratories is a broad screening procedure for detection of toxic compounds or drugs of abuse. In addition to GC-MS and LC-MSn screening techniques, LC-high-resolution tandem mass spectrometry (LC-HR-MS/MS) provides various advantages for screening approaches such as higher versatility, sensitivity and specificity. The Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites is the basis for metabolite-based screening procedures described for various drug classes.

Detection of metabolites increases selectivity, allows confirmation of the body passage, and finally, minimizes the risk of false negative LC-MS results possibly caused by ion suppression of the target analyte. The LC-HR-MS/MS library features over 2,000 parent drugs or poisons, and over 3,000 of their metabolites or artifacts in over 95 compound classification groups.

Data Fields:

• Compound name
• Empirical formula
• Exact molecular mass in u
• Exact precursor mass
• Five most intensive fragments
• Polarity
• Retention time in min
• CAS number
• Category

Featured Compound Classifications:

• Analgesics
• Anticonvulsants
• Antidiabetics
• Antihypertensives
• Cannabinoids
• Diuretics
• Drugs of Abuse, NPS
• Hypnotics
• Insecticides
• Psychotropics
• Virustatics
• ... and more

Compatibility:
Thermo™ TraceFinder™, NIST MS Search