Heighten screening sensitivity with metabolite-based LC-HR-MS/MS library
Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of 5,006 spectra, over 2,000 parent drug or poisons, and over 3,000 of their metabolites or artifacts in over 95 compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results.
LC-high-resolution tandem mass spectrometry (LC-HR-MS/MS) provides various advantages for screening approaches, such as higher versatility, sensitivity, and specificity. This library is the basis for metabolite-based screening procedures described for various drug classes. Data fields within the library include compound name, empirical formula, exact molecular mass, exact precursor mass, polarity, retention time, CAS number, and category.
Library Specifications
- Spectra: 5,006
- Structures: 3,144
- Unique Compounds: 2,299
- Metabolites/Artifacts: > 3,000
- Endogenous Molecules: 70
Compatibility
See supported instrument file formats.
Compound Coverage
Compound coverage includes:
- Acaricide
- Alcohol deterrent
- Aldosterone antagonist
- Alkaloid
- Alpha-reductase inhibitor
- Anabolic
- Analgesic
- Androgen
- Anesthetic
- Anorectic
- Antagonist of benzodiazepines
- Anthelmintic
- Antiamebic
- Antiandrogen
- Antianginal
- Antiarrhythmic
- Antibiotic
- Anticholinergic
- Anticoagulant
- Anticonvulsant
- Antidepressant
- Antidiabetic
- Antidiarrheal
- Antidote
- Antiemetic
- Antiestrogen
- Antiglaucoma agent
- Antigonadotropin
- Antihistamine
- Antihypertensive
- Antihypotensive
- Anti-inflammatory
- Antilipemic
- Antimalarial
- Antimigraine
- Antimycotic
- Antiparkinsonion
- Antiphlogistic
- Antirheumatic
- Antiseptic
- Antismoking agent
- Antispasmotic
- Antitussive
- Aromatase inhibitor
- Beta-Blocker
- Biomolecule
- Bronchodilator
- Ca Antagonist
- Calcium sensitizer
- Cannabinoid
- Capillary protectant
- Cardiac glycoside
- Cardiotonic
- ChE inhibitor
- Chemical
- Cholinergic
- Coronary dilator
- Corticoid
- CYP Inducer
- Cytostatic
- Dermatic
- Designer drug
- Designer opioid
- Diagnostic aid
- Dietary supplement
- Diuretic
- DNA synthesis inhibitor
- Dopamine antagonist
- Doping agent
- Drug of abuse
- Emetic
- Estrogen
- Expectorant
- Experimental drug
- Fatty acid
- Flavor
- Fungal metabolites
- Fungicide
- Gestagen
- Glucocorticoid
- H2-Blocker
- Haemostatic
- Herbicide
- Hormone
- Hyperammonaemia
- Hypnotic
- Immunomodulator
- Immunosuppressant
- Ingredient of black pepper
- Ingredient of Ipecac
- Ingredient of laburnum anagyr.
- Ingredient of nutmeg
- Ingredient of opium
- Ingredient of Ricinus communis
- Insecticide
- Laxative
- Liver protective
- Local anesthetic
- Metamfetamine precursor
- Muscle power enhancer
- Mushroom toxin
- Mydriatic
- Neuroleptic
- Nootropic
- Opioid antagonist
- Ovulation stimulant
- Pesticide
- Plant ingredient
- Polyneuropathy medication
- Potent analgesic
- Potent antitussive
- Preservative
- Psychedelic
- Renin inhibitor
- Research chemical
- Rodenticide
- Rubefacient
- Scabicide
- Sedative
- Softener
- SSRI for delaying ejaculation
- Standard
- Stimulant
- Sweetener
- Sympathomimetic
- Thromb.aggr.inhib.
- Tocolytic
- Tranquilizer
- Trichomonacide
- Tuberculostatic
- Tyrosinemia medication
- Uricosuric
- Urinary antiseptic
- Vasoconstrictor
- Vasodilator
- Vasopressin antagonist
- Virustatic
- Vitamin
- X-ray contrast medium
Compound coverage can be searched at www.compoundsearch.com.
