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Cui D, Davis MR, Yu X. 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;10(2):175-83doi: 10.1016/S1044-0305(98)00132-9.
Cui, D., Davis, M. R., & Yu, X. (1999). Identification of in vitro metabolites of Indinavir by "intelligent automated LC-MS/MS" (INTAMS) utilizing triple quadrupole tandem mass spectrometry. Journal of the American Society for Mass Spectrometry, 10(2), 175-83. https://doi.org/10.1016/S1044-0305(98)00132-9
Cui, D, et al. "Identification of in vitro metabolites of Indinavir by "intelligent automated LC-MS/MS" (INTAMS) utilizing triple quadrupole tandem mass spectrometry." Journal of the American Society for Mass Spectrometry vol. 10,2 (1999): 175-83. doi: https://doi.org/10.1016/S1044-0305(98)00132-9
Cui D, Davis MR, Yu X. 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. doi: 10.1016/S1044-0305(98)00132-9. PMID: 9926409.
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J Am Soc Mass Spectrom. 1999 Feb;10(2):175-83. doi: 10.1016/S1044-0305(98)00132-9.

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

Journal of the American Society for Mass Spectrometry

D Cui, M R Davis, X Yu

Affiliations

  1. Department of Drug Metabolism, Merck Research Laboratories, West Point, Pennsylvania, USA.

PMID: 9926409 DOI: 10.1016/S1044-0305(98)00132-9

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.

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