Automation of toxicological screenings on a Hewlett Packard Chemstation GC-MS system

Objectives: To optimize the interpretation of GC-MS toxicological screenings (i.e., to facilitate ion specific queries, create custom reports specifically adapted to each confirmation procedure, and eliminate redundant and/or inaccurate data on library search reports). Design and Methods: The MS Che...

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Bibliographic Details
Published in:Clinical biochemistry 1996-08, Vol.29 (4), p.357-361
Main Authors: Fiers, Tom, Maes, Viviane, Sevens, Claude
Format: Article
Language:English
Subjects:
automation
decision analysis
expert system
Gas Chromatography-Mass Spectrometry - instrumentation
GC-MS
Hewlett Packard
Humans
Nordazepam - analysis
Sensitivity and Specificity
software design
Street Drugs - analysis
toxicology
Toxicology - instrumentation
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Summary:Objectives: To optimize the interpretation of GC-MS toxicological screenings (i.e., to facilitate ion specific queries, create custom reports specifically adapted to each confirmation procedure, and eliminate redundant and/or inaccurate data on library search reports). Design and Methods: The MS Chemstation software of the Hewlett Packard 5972 is constructed in a modular way. We made extensive modifications to two modules, the data analysis and the report modules, using the built-in MS Chemstation macro language. Results: Ion specific queries were automated for over 60 commonly encountered analytes. Custom reports were created for the confirmation of positive drugs-of-abuse immunoassay results. With the incorporation of decision support rules into the data processing and the reporting phases, we obtained sensitive, accurate, and concise reports. Conclusions: The MS Chemstation software can be tailored to the needs of each individual application. The incorporation of a rule-based decision support system enhances the quality of the GC-MS toxicological screenings and results in faster, easier, and more reliable processing.
ISSN:0009-9120
1873-2933
DOI:10.1016/0009-9120(96)00044-6