title: Automation of toxicological screenings on a Hewlett Packard Chemstation GC-MS system.
abstract: OBJECTIVE
  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).
  
  
  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.
authors.affiliation: Department of Clinical Chemistry, Academisch Ziekenhuis Vrije Universiteit Brussel, Belgium.
authors.forename: T
authors.initials: T
authors.lastname: Fiers
authors.forename: V
authors.initials: V
authors.lastname: Maes
authors.forename: C
authors.initials: C
authors.lastname: Sevens
mesh_terms: D008401:Gas Chromatography-Mass Spectrometry / Q000295:instrumentation*; D006801:Humans; D013287:Illicit Drugs / Q000032:analysis; D003708:Nordazepam / Q000032:analysis; D012680:Sensitivity and Specificity; D014116:Toxicology / Q000295:instrumentation*
chemical_list: D013287:Illicit Drugs; D003708:Nordazepam