Identification of in vitro metabolites of Indinavir by "intelligent automated LC-MS/MS" (INTAMS) utilizing triple quadrupole tandem mass spectrometry.

Important note: Information in this article was accurate in 1999. The state of the art may have changed since the publication date.

Identification of in vitro metabolites of Indinavir by "intelligent automated LC-MS/MS" (INTAMS) utilizing triple quadrupole tandem mass spectrometry.

J Am Soc Mass Spectrom. 1999 Feb;10(2):175-83. Unique Identifier : AIDSLINE MED/99125232
Yu X; Cui D; Davis MR; Department of Drug Metabolism, Merck Research Laboratories, West; Point, Pennsylvania, USA.

Abstract: In an effort to improve the efficiency of the TSQ 7000 LC-MS/MS system for identification of drug metabolites in biological matrices in support of drug discovery programs, a combination of instrument control language procedures for the Finnigan MAT TSQ 7000 mass spectrometer, referred to as INTAMS, were composed. INTAMS was designed to conduct unattended, automatic liquid chromatography/mass spectrometry (LC-MS) and LC-MS/MS analyses of drugs and metabolites in commonly encountered in vitro biological matrices. A novel peak detection algorithm was developed to automatically detect and record the pseudomolecular ions and retention times of chromatographic components, even if not fully resolved. This algorithm was used in combination with an automated technique for predicting the molecular weights of metabolites based on incremental changes of the molecular weight of the parent drug resulting from well-known biotransformation processes. When applied to a sample of an incubation mixture of the HIV protease inhibitor Indinavir with a rat liver S9 preparation, the results obtained by the automatic metabolite detection procedures for LC-MS and LC-MS/MS analyses in real time were the same as those which were determined manually, by a knowledgeable operator.

Keywords: JOURNAL ARTICLE Animal Anti-HIV Agents/*ANALYSIS Chromatography, High Pressure Liquid Indinavir/*ANALYSIS Liver/METABOLISM Rats Spectrum Analysis, Mass Subcellular Fractions/METABOLISM $KWDanalysisliver/metabolismratsspectrumanalysis,masssubcellularfractions/metabolism$
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A9950898

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