Gas chromatographic-mass spectrometric-computer methods in the study of drug metabolism.
The computer-assisted interpretation of repetitively scanned mass spectra can be of great value in the analysis of a complex mixture even in the absence of a library of reference spectra. We have written a set of interpretation programs for a PDP11/45 laboratory computer. A file structure is used that combines economy of storage with ease of creation and retrieval. User interaction is by a simple command language implemented by an interpreter. The program structure is such that additional functions can be added easily.
D002849:Chromatography, Gas; D003201:Computers; D003936:Diagnosis, Computer-Assisted; D006801:Humans; D007256:Information Systems; D013058:Mass Spectrometry; D008702:Methaqualone / Q000378:metabolism*
D008702:Methaqualone