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Efficient acquiring method and system for gas chromatographic retention indices

A retention index, gas chromatography technology, applied in the field of computer-aided engineering, can solve the problems of large investment, impractical retention index, low efficiency and so on

Inactive Publication Date: 2013-09-04
YUNNAN ACAD OF TOBACCO AGRI SCI
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

When calculating the retention index of a large number of compounds, the method of manual calculation is inefficient
There are also special workstations or third-party software to calculate the retention index, but due to the huge investment, it is not practical for occasional calculation of the retention index
Or program through computer programming languages ​​such as C language and calculate the retention index in batches. However, for most analytical chemists, they cannot master the programming and operation of C language well.

Method used

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  • Efficient acquiring method and system for gas chromatographic retention indices
  • Efficient acquiring method and system for gas chromatographic retention indices
  • Efficient acquiring method and system for gas chromatographic retention indices

Examples

Experimental program
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Effect test

Embodiment 1

[0058] Calculation of the retention index of unknown compounds in the gas chromatography-mass spectrometry analysis of dichloromethane extracts in tobacco samples: the diesel-gasoline mixed sample was analyzed according to the gas chromatography-mass spectrometry conditions of tobacco samples ( figure 2 ), output the retention time of C8-C26 normal alkanes to a new MS-Excel document, and input the carbon number of C8 ( image 3 , gray area), the remaining carbon numbers are automatically calculated in the form of +1 function and the corresponding retention index is multiplied by its carbon number by 100; enter the retention time of the undetermined compound sequentially in one line, and according to the normal alkanes carbon number range N =19, drag the retention time of the undetermined compound to fill in the same data (such as Figure 4 shown). Create a new line in MS-Excel, adopt the screening method, start screening from the lowest carbon number of n-alkanes, and add a ...

Embodiment 2

[0060] The data collection method (gas chromatography conditions) is the same as that of Example 1, and the carbon number range of normal alkanes is the same as that of Example 1. Input the obtained retention time data of unknown compounds whose retention times are 5.181, 5.483, 5.935, 6.105, and 6.155 into the "Retention Time" column of the "Unidentified Compound" area, and the system will automatically calculate the retention of the above unknown compounds according to the function settings. The index is 1124.9, 1156.1, 1203.0, 1222.0, 1227.6.

Embodiment 3

[0062] The data collection method (gas chromatography conditions) is the same as that of Example 1, and the carbon number range of normal alkanes is the same as that of Example 1. Input the obtained retention time data of unknown compounds whose retention times are 7.893, 8.086, 8.708, 9.946, and 10.749 into the "Retention Time" column of the "Unidentified Compound" area, and the system will automatically calculate the retention of the above unknown compounds according to the function settings. The index is 1435.2, 1460.4, 1544.3, 1720.0, 1820.9.

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Abstract

The invention discloses an efficient acquiring method and system for gas chromatographic retention indices. The method comprises a data acquisition step of acquiring retention data of an n-alkane sample and retention time RTx of unknown compounds through gas chromatographic analysis, a data input step of reading the carbon number, the retention time and the retention indices of the n-alkanes and the retention time RTx of the unknown compounds obtained in step A, and sequentially inputting the data into table cells of Excel, and a retention indices calculating step of setting a function in the Excel for judgment, and calculating the retention indices RI of the unknown compounds according to a corresponding formula in the corresponding table cells of the Excel if the retention time RTx of the unknown compounds is between the retention time of Cn and Cn+1 n-alkanes. The system comprises a gas chromatographic analysis module, a data input module and a data calculating module. By virtue of the method and the system disclosed by the invention, the Excel is used for simply and quickly calculating the retention indices of the unknown compounds in batches by reading the gas chromatographic analysis data.

Description

technical field [0001] The invention belongs to the technical field of computer-aided engineering, and in particular relates to a method and system for simple and fast batch calculation of retention indices of unknown compounds in gas chromatography analysis. Background technique [0002] Gas chromatography can effectively separate complex samples and perform qualitative and quantitative analysis of components. The qualitative methods mainly include retention time qualitative, retention index qualitative and qualitative by combining with other instruments. Retention time characterization requires standard substances, and retention index characterization can use the retention index in the literature when there is no standard sample, and the method error can be less than 1%, thus becoming an important tool for compound characterization in analytical chemistry. [0003] The concept of retention index or Kovats Index (RI or KI) was proposed by Kovats in 1958, which is to calibr...

Claims

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Application Information

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IPC IPC(8): G01N30/86G06F17/50
Inventor 李勇逄涛师君丽孔光辉吴玉萍
Owner YUNNAN ACAD OF TOBACCO AGRI SCI
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