Development of a novel GC/MS database for simultaneous determination of hazardous chemicals

KADOKAMI Kiwao, TANADA Kyoko, TANEDA Katsuyuki, NAKAGAWA Katsuhiro

doi:10.2116/bunsekikagaku.53.581

A novel GC/MS database for the simultaneous analysis of hazardous chemicals in the environment and food samples was developed. Since GC retention-time data and calibration curves other than mass spectra are registered into the database, an identification and determination of the chemicals in the database can be performed for a short time. By using n-alkanes as retention indices, under the same GC conditions, the retention times of the registered chemicals in samples were exactly predicted with an error for less than 3 seconds; by combining exact predict retention times and reverse searches, reliable identification was completed. Moreover, the registered substances also appeared in the sphere of 1% of the predicted retention times under different programmed temperature conditions and different carrier gas linear velocities. In an examination of the determination ability, by adjusting the GC inlet, the column, and the tuning conditions using the GC/MS performance standards, it was possible to produce a relative standard deviation of the determination values to be 20% or less, except for a part of high-polarity materials, such as pentachlorophenol and benzidine, which are very easy to adsorb on a column. More than 90% of the chemicals in the database could be detected at 100 or less pg, and it exhibited a practically sufficient sensitivity. From these results, it was confirmed that more than 1000 hazardous chemicals can be simultaneously determined without standards by the database system. The database, therefore, can be applied to evaluate the overall safety of environment media and foodstuff.<br>

Development of a novel GC/MS database for simultaneous determination of hazardous chemicals

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