Agilent Technologies Metabolite Identification Using ACD Labs Version 8.0 Software and the Agilent 1100 LC MSD Trap XCT Plus System 技术手册说明书.PDF

Metabolite Identification Using ACD Labs Version 8.0 Software and the Agilent 1100 LC/MSD Trap XCT Plus System Technical Overview Patrick D. Perkins Agilent Technologies Introduction Metabolism is the very essence of life. An organ- release of a drug candidate for general use, it is ism ingests substances, transforms them into necessary to know what metabolites are formed, intermediates, extracts useful energy or com- how they are distributed in the organism, what pounds, and excretes the remainder. The interme- forms are excreted, at what rate the drug is diates and excreted materials, metabolic products, metabolized, at what rate the metabolites are contain a wealth of information about the geno- excreted, and so forth. type and health of the organism. A major task of drug development is the iden- Drugs are a specific class of these substances, tification of the metabolites of drug candidates. usually administered to an individual for a given Due to the large number of metabolites that are effect, to relieve pain, reduce a headache, prevent formed, their structural diversity, and their rela- infection, and so on. They are metabolized just tively low concentrations, a sensitive analytical like all organic substances to produce a substan- technique and sophisticated software are needed tial array of products. Some of these metabolites for comprehensive analysis of samples from may be even more potent than the original drug; metabolism studies. The pairing of an LC/MSD ion o