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Edible oil identification method based on mass spectrum and principal component analysis

A principal component analysis and mass spectrometry technology, applied in the field of edible oil identification based on mass spectrometry and principal component analysis, can solve the problems of high labor, material and time costs, few types of edible oils, and insufficient discrimination, and achieves sample prediction. The effect of improving processing steps, simple operation, and improving the technical level of analytical instruments

Inactive Publication Date: 2015-04-29
XI'AN PETROLEUM UNIVERSITY
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AI Technical Summary

Problems solved by technology

However, at present, researchers usually directly perform principal component analysis on all mass spectrometry data obtained by mass spectrometry analysis, and the types of edible oils that can be identified at the same time are few and the discrimination is not significant enough.
In order to solve the shortcomings of existing methods, researchers often use improved mass spectrometry methods to improve the ability of mass spectrometry and principal component analysis to identify edible oils, and the improvement of mass spectrometry methods is often by adding sample pretreatment steps and improving the technical level of analytical instruments To realize, need to invest more manpower, material resources and time cost

Method used

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  • Edible oil identification method based on mass spectrum and principal component analysis
  • Edible oil identification method based on mass spectrum and principal component analysis
  • Edible oil identification method based on mass spectrum and principal component analysis

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Experimental program
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Effect test

Embodiment 1

[0032] 1. Establishment of edible oil standard sample mass spectrometry database

[0033] Six known edible oil samples (sunflower oil, olive oil, mustard oil, rapeseed oil, corn oil and peanut oil) were taken as standard samples and analyzed by mass spectrometry by solute transfer electrospray ionization. The detailed analysis conditions are as follows: mass-to-charge ratio range: 50-1200; capillary tip diameter: 15 μm; spray voltage: 2kv; ionization mode: positive ion mode; mass spectrometer: Thermo Scientific TSQ Quantum Access MAX triple quadrupole mass spectrometer.

[0034] (1) First add 25 μL analytical pure methanol solvent into the capillary; then inject 2 μL of known oil sample into the capillary; finally apply the spray voltage and perform mass spectrometry analysis, take the data after the signal is stable, and repeat the experiment 5 times for each oil sample .

[0035] (2) Perform principal component analysis on all the mass spectrometry data of the 6 edible oil ...

Embodiment 2

[0043] Using the mass spectrometry analysis method of edible oil standard samples to perform mass spectrometry analysis on unknown edible oil samples, extract the corresponding mass spectrum data according to the characteristic mass-to-charge ratio in the standard sample mass spectrometry database, and perform principal component analysis together with the edible oil standard sample mass spectrometry database, according to The scores of each principal component identify whether the unknown edible oil sample is a class of edible oil standard samples, such as Figure 7 shown, from Figure 7 The results of principal component analysis showed that the test oil sample was consistent with the sunflower oil in the edible oil standard sample, so the test oil sample was sunflower oil.

Embodiment 3

[0045] Using the mass spectrometry analysis method of edible oil standard samples to perform mass spectrometry analysis on unknown edible oil samples, extract the corresponding mass spectrum data according to the characteristic mass-to-charge ratio in the standard sample mass spectrometry database, and perform principal component analysis together with the edible oil standard sample mass spectrometry database, according to The scores of each principal component identify whether the unknown edible oil sample is a class of edible oil standard samples, such as Figure 8 shown, from Figure 8 The results of principal component analysis showed that the test oil sample was consistent with the olive oil in the edible oil standard sample, so the test oil sample was olive oil.

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Abstract

The invention discloses an edible oil identification method based on mass spectrum and principal component analysis. According to the method, a mass spectrometer is used as an analytical tool, mass spectrum data of edible oil standard samples are acquired, feature mass spectrum data capable of significantly distinguishing all the edible oil standard samples through principal component analysis are extracted with a mass spectrum data pre-screening method, and an edible oil standard sample mass spectrum database is established to effectively identify unknown edible oil samples. According to the method, the edible oil identification capacity is improved through the improvement on a follow-up mass spectrum data processing method, increase of a sample preprocessing step and improvement on technical levels of analytical instruments are not required, large quantities of manpower, material resources and time costs are saved, and the method is a new edible oil identification method.

Description

technical field [0001] The invention relates to an edible oil identification method, in particular to an edible oil identification method based on mass spectrum and principal component analysis. Background technique [0002] Edible oil is an indispensable food material for human life. There are large differences in the nutritional value and market price of different edible oils. Unscrupulous merchants often make huge profits by adulterating, shoddy, or even using gutter oil as edible oil. Therefore, the development of an effective edible oil identification method is a major problem that the current society urgently needs to solve. [0003] The mass spectrometry method can quickly, comprehensively and accurately obtain the mass spectrometry data of each compound in edible oil for qualitative and quantitative analysis, while the principal component analysis method can effectively reflect the differences between different sample data. Therefore, in recent years, many research...

Claims

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Application Information

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IPC IPC(8): G01N27/62G01N33/03
Inventor 钟汉斌张智平郑亚君王倩
Owner XI'AN PETROLEUM UNIVERSITY
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