BESTSRCH: An Automated System for Identification of GC/MS Peaks
Abstract
In order to carry out time consuming data reduction processes while simultaneously conducting gas chromatographic/mass spectrometric (GC/MS) analyses with a single computerized control system, it has been necessary to develop software capable of making sophisticated decisions without assistance from the analyst for use during off hours when the computer is not otherwise occupied. A software routine has been devised and tested that determines the quality of a series of spectral library searches to find the best average spectrum for removing background contamination and the interference of overlapping chromatographic peaks from each peak of a GC/MS total ion chromatogram (TIC). Peak spectra are corrected for interference, searched against a library of known mass spectra, and the results are printed without operator intervention by the software developed. Either preliminary or optimized searches for the identity of the organic materials separated in an entire chromatogram or in a selected portion of a TIC obtained by GC/MS analysis may be made. The procedure, which has wide general utility, has been applied to the analysis of volatile organic components found in samples of submarine air.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 17, 1988
- Accession Number
- ADA418603
Entities
People
- D. V. Tappen
- E. Hayder
- L. W. Mooney
Organizations
- Naval Submarine Medical Research Laboratory