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Method for predicting retention time of compound in gas chromatographic analysis method

A technology of gas chromatography analysis and retention time, which is applied in the field of prediction of compound retention time in gas chromatography analysis methods, and can solve problems such as decreased prediction accuracy and poor reproducibility

Pending Publication Date: 2020-11-03
ZHENGZHOU TOBACCO RES INST OF CNTC
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0006] The above method is suitable for the routine maintenance of the instrument (such as replacing or cutting the chromatographic column) or when the method is transferred between different instruments. Since the reproducibility of the retention index of the compound is poor under different chromatographic analysis parameters, if the chromatographic parameters such as programmed temperature increase When the analysis parameters are changed, the prediction accuracy of the above retention index method will decrease significantly

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  • Method for predicting retention time of compound in gas chromatographic analysis method
  • Method for predicting retention time of compound in gas chromatographic analysis method
  • Method for predicting retention time of compound in gas chromatographic analysis method

Examples

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Embodiment 1

[0025] In this example, 207 kinds of aroma components are used as target compounds, including 13 kinds of aldehydes, ketones, alcohols, phenols, esters, heterocycles, ethers, hydrocarbons, sulfides, amides, acid anhydrides, acetals, and ketals. Gas chromatography tandem mass spectrometer is used for analysis, and the retention time prediction of all target compounds is used to determine the best chromatographic separation conditions and complete the development of the analytical method.

[0026] The prediction method of compound retention time in the gas chromatography analysis method of the present embodiment, comprises the following steps:

[0027] 1) Determination of the initial retention time of each target compound under the initial chromatographic conditions

[0028] Initial chromatographic conditions: the chromatographic column is: DB-5MS UI elastic quartz capillary column (60m×0.25mm×0.25μm). The carrier gas flow rate was 1.0 mL / min. The initial temperature programmi...

Embodiment 2

[0062] This embodiment continues the experiment on the basis of embodiment 1.

[0063] 1) Determination of the initial retention time of each target compound under the initial chromatographic conditions

[0064] Initial chromatographic conditions: initial temperature 50°C, keep for 3min, then rise to 75°C at 5°C / min, keep for 1min, then rise to 150°C at 1°C / min, keep for 1min, then rise to 260°C at 2°C / min, Keep it for 1min, and finally raise it to 280℃ at 10℃ / min, and keep it for 10min.

[0065] 2) Divide the time chain consisting of the initial retention times of 207 target compounds into different time intervals, and select 33 compounds on the nodes as target compounds of the reference system (specifically the same as in Example 1). In other implementation situations, the types and quantities of target compounds in the reference system may also be different from those in Example 1.

[0066] 3) Determine the predicted retention time of all target compounds according to the...

Embodiment 3

[0075] This embodiment continues the experiment on the basis of embodiment 2.

[0076] 1) Take the predicted retention time of Example 2 as the initial retention time.

[0077] 2) Divide the time chain consisting of 207 initial retention times of target compounds into different time intervals, and select 33 compounds on the nodes as target compounds of the reference system (same as in Example 1).

[0078] 3) Measure the mixed standard solutions of 33 kinds of reference system target compounds on another gas chromatography tandem mass spectrometer, and determine their retention times. Substitute the retention times of 33 reference system target compounds into the prediction equation to calculate the retention time of the target compounds.

[0079] As a comparison, the retention times of 207 target compounds were predicted according to the retention index.

[0080] The deviation of the retention time of 207 target compounds before and after the transfer of the analysis method ...

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Abstract

The invention belongs to the technical field of chromatographic analysis, and particularly relates to a method for predicting compound retention time in a gas chromatographic analysis method. The prediction method comprises the following steps: determining the initial retention time of each compound; selecting a reference system target compound; and predicting the retention time according to the prediction equation. The method for predicting the retention time of the compound only relates to the retention time (namely retention behaviors) of the target compound and the reference system targetcompound adjacent to the target compound under different chromatographic parameter conditions, and the retention behaviors of the reference system target compound and the target compound under different chromatographic parameter conditions are basically consistent due to the fact that the molecular structures of the reference system target compound and the target compound are similar. The reference system target compound can be linearly inserted at nearly equal time intervals, so that the retention time of the compound after chromatographic analysis parameters are changed can be accurately predicted. Based on the same principle, the retention time of the compound after the gas chromatographic analysis methods such as instrument replacement and instrument chromatographic column maintenanceare changed can also be accurately predicted.

Description

technical field [0001] The invention belongs to the field of chromatographic analysis, in particular to a method for predicting the retention time of compounds in a gas chromatographic analysis method. Background technique [0002] Gas chromatography is a separation and analysis method with high efficiency, high selectivity, high sensitivity, simple operation and wide application. In order to achieve the best separation effect, it is usually necessary to determine the optimal chromatographic analysis conditions through repeated experiments. This method lacks theoretical guidance and requires a lot of work. Especially when there are hundreds of compounds to be tested, the determination of the optimal chromatographic analysis conditions is very tedious and time-consuming. If the retention time of chromatographic peaks under different chromatographic analysis conditions can be predicted, and the best chromatographic conditions can be established on this basis, the number of ex...

Claims

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Application Information

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IPC IPC(8): G01N30/02G01N30/60G01N30/86
CPCG01N30/02G01N30/60G01N30/8668G01N30/8679
Inventor 潘立宁谢复炜王晓瑜陈黎任宗灿赵阁郭军伟崔华鹏樊美娟刘瑞红陈满堂刘惠民
Owner ZHENGZHOU TOBACCO RES INST OF CNTC