Comparison of two methods of detection,determination, and library search of the substances present in gas chromatography—mass spectrometry data |
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| Authors: | B.Edwin Blaisdell S.C. Gates F.E. Martin C.C. Sweeley |
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| Affiliation: | Department of Biochemistry, Michigan State University, East Lansing, Michigan 48824 U.S.A. |
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| Abstract: | A comparison is made of two different methods, LIANAL and MSSMET, for the analysis of a g.c.—m.s. data matrix for the purpose of detecting and determining the metabolic profiles of the substances present. The parameters of the methods and the profiles determined on two different data matrices are compared. The two methods agree in 92 out of a possible 103 instances as to the presence or absence of the 103 substances for which they both made determinations. Ratios of the metabolic profiles for the two samples are highly correlated (0.9954) for the two methods. |
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