In silico and in vitro metabolism studies support identification of designer drugs in human urine by liquid chromatography/quadrupole-time-of-flight mass spectrometry

Analytical and Bioanalytical Chemistry

Volumn 405, Issue 21, 2013, Pages 6697-6709

  Tyrkkö, Elli ^a   Pelander, Anna ^a   Ketola, Raimo A ^a   Ojanperä, Ilkka ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Pyrrolidinovalerophenone; 2 Desoxypipradrol; 3,4 Dimethylmethcathinone; Liquid chromatography quadrupole time of flight mass spectrometry; Metabolite prediction; Methiopropamine

Indexed keywords

2-DESOXYPIPRADROL; 3,4-DIMETHYLMETHCATHINONE; HUMAN LIVER MICROSOMES; METABOLIC INFORMATION; METABOLIC REACTIONS; METHIOPROPAMINE; OXIDATION REACTIONS; URINARY METABOLITES;

BIOMOLECULES; BODY FLUIDS; CHROMATOGRAPHY; DEHYDROGENATION; DESIGN; FORECASTING; HYDROXYLATION; LIQUIDS; MASS SPECTROMETRY; METABOLISM; OXIDATION; PHYSIOLOGY; REDUCTION;

METABOLITES;

DESIGNER DRUG;

ARTICLE; BIOLOGICAL MODEL; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG DESIGN; ELECTROSPRAY MASS SPECTROMETRY; HUMAN; LIQUID CHROMATOGRAPHY; METABOLISM; METHODOLOGY; MICROSOME; SUBSTANCE ABUSE; URINALYSIS;

CHROMATOGRAPHY, LIQUID; COMPUTER SIMULATION; DESIGNER DRUGS; DRUG DESIGN; HUMANS; MICROSOMES; MODELS, BIOLOGICAL; SOFTWARE; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; SUBSTANCE ABUSE DETECTION; URINALYSIS;

EID: 84881366722     PISSN: 16182642     EISSN: 16182650     Source Type: Journal    
DOI: 10.1007/s00216-013-7137-1     Document Type: Article

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