The role of computers in conjunction with analytical instrumentation

The use of a small or medium size computer as a data acquisition and processing system for a mass spectrometer has greatly enhanced the effectiveness of this instrument, particularly when used in conjunction with a gas chromatograph as the sample input device for the spectrometer. The qualitative information obtainable from the complex mixtures usually represented by biological samples is greatly increased, up to the point that an almost automatic identification of all components in such mixtures is achieved. The sensitivity of a mass spectrometer is very high, compared with most other analytical instruments, and it is therefore well suited for the identification of trace components, an important feature for environmental analyses. Similarly unmatched is the high degree of specificity of mass spectrometry and its capability for quantitative measurements at very low levels. These aspects are illustrated on examples involving the identification of drugs in body fluids, contaminants in drinking water, forensic analysis, monitoring of biologically very active trace components (melatonin), detection of absorption through the skin of toxic flame retardants from fibers and the monitoring of the extremely toxic substance tetrachlorodibenzodioxin in a severely contaminated area.