Co-elution peak analysis and library searching method based on gas chromatography-mass spectrometry analysis

Abstract

The invention discloses a co-elution peak analysis and library searching method based on gas chromatography-mass spectrometry analysis. The co-elution peak analysis and library searching method comprises the steps of firstly, judging whether a peak is an overlap peak of multiple components by peak-shape and peak-purity analysis, namely judging whether the peak is a co-elution peak; secondly, conducting one-to-more matching on a mass spectrogram which is formed by the composition of multiple materials in a library with the mass spectrogram of the co-elution peak and judging the components according to the matching degree; and thirdly, comparing the three-dimensional spectrograms of different samples, conducting one-to-one or one-to-more library searching by aiming at a difference mass spectrogram, thus determining the material differences of the samples and determining the nature of the different components. The co-elution peak analysis and library searching method based on gas chromatography-mass spectrometry analysis can rapidly realize analysis on the co-elution peak and the component difference of different samples.

Description

technical field [0001] The invention relates to a coelution peak analysis and spectrum library search method based on gas chromatography-mass spectrometry analysis, which can be applied to the fields of food and chemical quality inspection, especially the composition analysis and quality monitoring of cigarettes, tobacco components and tobacco additives, including Analysis of tobacco components that are difficult to separate by chromatography, quality comparison analysis of tobacco components and tobacco additives under different batches and different processing conditions, etc. Background technique [0002] The existing gas chromatography-mass spectrometry analysis technology has certain shortcomings, and its ability to separate components with similar structures is limited. Even if different chromatographic columns are selected, it is difficult to effectively separate all components. At the same time, replacing the chromatographic column is also very complicated. The curr...

AI Technical Summary

Problems solved by technology

[0002] The existing gas chromatography-mass spectrometry analysis technology has certain shortcomings, and its ability to separate components with similar structures is limited. Even if different chromatographic columns are selected, it is difficult to effectively separate all components.

At the same time, replacing the chromatographic column is also very cumbersome

For the co-eluting peaks formed by several components that are not completely separated, the current method cannot accurately resolve

The comprehensive two-dimensional gas chromatography analysis technology can better solve the defect of gas chromatography separation ability, but it has a large number of ghost peaks (ghost peaks refer to chromatographic elution peaks that cannot be qualitatively analyzed in chromatographic analysis, also known as false peaks, and have many sources. various, such as the loss of stationary liquid in the chromatographic column, the thermal decomposition or catalytic decomposition products of some substances, etc.), the common phenomenon of multiple peaks of the same component, etc., resulting in a large amount of redundant information in the comprehensive two-dimensional spectrum Difficulty in graph parsing

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