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Chemical profile analysis method based on retention time locking-gas chromatography-quadrupole mass spectrometry-selected ion monitoring mode

A technology of gas chromatography and retention time, which is applied in the direction of analyzing materials, scientific instruments, and material separation, and can solve problems such as influence, complex chromatographic peak matching, and error in peak matching results

Active Publication Date: 2012-11-28
DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI +1
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Problems solved by technology

In addition, since the mass spectrometry ion source in gas chromatography-mass spectrometry analysis usually adopts the electron impact ionization (EI) mode, although this mode can obtain rich compound ion information, it is conducive to the establishment of a unified standard and the convenience of compound characterization, but it will make it impossible to Chromatographic peak matching between different samples based on full-scan ion channels becomes very complex and redundant
However, the use of total ion current chromatograms for peak area quantification and peak matching will cause the loss of compound information and the impact of quantitative accuracy due to the overlap of chromatographic peaks.
If the qualitative results of mass spectrum deconvolution are used for peak matching, there will be greater errors in the peak matching results due to the differences in the qualitative results in each sample

Method used

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  • Chemical profile analysis method based on retention time locking-gas chromatography-quadrupole mass spectrometry-selected ion monitoring mode
  • Chemical profile analysis method based on retention time locking-gas chromatography-quadrupole mass spectrometry-selected ion monitoring mode
  • Chemical profile analysis method based on retention time locking-gas chromatography-quadrupole mass spectrometry-selected ion monitoring mode

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Experimental program
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Embodiment 1

[0035]1. Sample collection

[0036] Taking flue-cured tobacco samples as an example, a total of 61 middle tobacco leaf samples from different origins were collected and cured at 40°C to constant weight. Tobacco leaves were destemmed and crushed, passed through a 40-mesh sieve, sealed in ziplock plastic bags, and stored in a refrigerator at 4°C.

[0037] 2. Analysis method

[0038] 2.1 Production of quality control samples

[0039] 0.5 g was weighed out from each tobacco powder sample, mixed evenly, and a new sample was generated, ie, a quality control (QC) sample.

[0040] 2.2 Collection of total ion chromatograms of quality control samples

[0041] (1) Extraction and derivatization: extraction solvent, water-methanol-acetonitrile (3:1:1, volume ratio). Accurately weigh 50mg of quality control sample into a 5mL glass vial, add 2mL of extract and sonicate at 17°C for 60min. After centrifugation at 700 g, 450 μL of the supernatant was transferred to a 1.5 mL chromatographic...

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Abstract

The invention discloses a chemical profile analysis method based on a retention time locking-gas chromatography-quadrupole mass spectrometry-selected ion monitoring mode. Firstly, the method employs a gas chromatography-mass spectrometry (GC-MS, full scan mode) method to analyze quality control samples, performs mass spectral de-convolution and peak identification on obtained full scan information with an automated mass spectral deconvolution and identification system (AMDIS), extracts chromatographic retention time information corresponding to identified compounds from AMDIS result documents, and groups chromatographic peaks at different retention time according to the information. Then, the method extracts mass spectral information from an original data file, selects characteristic ions, establishes a retention time locking GC-MS method, and performs selected ion monitoring on all the to-be-analyzed samples. Reliability, efficiency and maneuverability of chemical profile analysis data obtained by employing the gas chromatography-mass spectrometry are improved. The method also can be extended to chemical profile analysis based on liquid chromatography-mass spectrometry.

Description

technical field [0001] The invention relates to the field of analytical chemistry, and is a new method for chemical profile analysis based on retention time locking-gas chromatography-quadrupole mass spectrometry selective ion scanning. Background technique [0002] Chemical profiling (fingerprint) refers to the use of certain analytical techniques to obtain a profile (usually a chromatogram, chromatogram / mass spectrum, or spectrogram) that can represent the chemical characteristics of a sample containing complex components. The chemical profiling method is a comprehensive and quantifiable analytical tool. Commonly used chemical profiling methods include gas chromatography (GC), high performance liquid chromatography (HPLC) and high performance capillary electrophoresis (HPCE) and other chromatography methods, as well as ultraviolet spectroscopy (UV), infrared spectroscopy (IR), chromatography-mass spectrometry Combined methods, nuclear magnetic resonance (NMR) and so on. ...

Claims

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Application Information

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IPC IPC(8): G01N30/72
Inventor 许国旺李勇阮强路鑫林晓惠
Owner DALIAN INST OF CHEM PHYSICS CHINESE ACAD OF SCI
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