Three-dimensional information comparative analysis method based on gas chromatography-mass spectrometry analysis data
2012
The invention discloses a three-dimensional information comparative analysis method based on gas chromatography-mass spectrometry analysis data. The three-dimensional information comparative analysis method comprises the steps of: 1, superposing a total ion chromatorgraphy and a mass spectrogram of a sample obtained by a gas chromatography-mass spectrometry combined instrument to obtain a three-dimensional omnibearing spectrogram of the sample, wherein the three-dimensional omnibearing spectrogram regards retention time, mass-to-charge ratio and abundance as three-dimensional coordinate axes; 2, performing comparative superposition or differentiation deduction on three-dimensional omnibearing spectrograms of different samples to further perform characteristic analysis on spectrograms of the samples and realize comparative analysis on components of different samples; and 3, analyzing overlapped peaks. The three-dimensional information comparative analysis method based on the gas chromatography-mass spectrometry analysis data, disclosed by the invention, has the advantages of being able to realize comparative analysis on components of different samples and component analysis on the overlapped peaks.
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