Chemical profile analysis method based on retention time locking-gas chromatography-quadrupole mass spectrometry-selected ion monitoring mode
A gas chromatography mass spectrometry, retention time technology, applied in analytical materials, scientific instruments, material separation, etc., can solve problems such as redundancy, complex chromatographic peak matching, and influence
Active Publication Date: 2015-04-15
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
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Embodiment 1
[0035] 1. Sample collection
[0036] Taking flue-cured tobacco samples as an example, a total of 61 flue-cured tobacco leaf samples from different origins were collected and baked at 40°C to constant weight. The tobacco leaves were destemmed, crushed, passed through a 40-mesh sieve, sealed in a ziplock plastic bag, and stored in a refrigerator at 4°C.
[0037] 2. Analysis method
[0038] 2.1 Production of quality control samples
[0039] Weigh out 0.5g from each smoke powder sample, mix them evenly, and generate a new sample, the quality control (QC) sample.
[0040] 2.2 Collection of total ion current chromatogram of quality control sample
[0041] (1) Extraction and derivatization: extraction solvent, water-methanol-acetonitrile (3:1:1, volume ratio). Accurately weigh 50 mg of the quality control sample into a 5 mL glass vial, add 2 mL of the extract, and sonicate for 60 min at 17°C. Centrifuge under 700g conditions, take 450μL of supernatant and transfer to a 1.5mL chromatographic ...
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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 profile (fingerprint) refers to the use of a certain analytical technique to obtain a profile map (usually a chromatogram, chromatogram / mass spectrum or spectrogram) that can represent the chemical characteristics of a sample containing complex components. The chemical profile method is a comprehensive and quantifiable analysis method. Commonly used chemical profiling methods include gas chromatography (GC), high performance liquid chromatography (HPLC) and high performance capillary electrophoresis (HPCE), as well as ultraviolet spectroscopy (UV), infrared spectroscopy (IR), chromatography-mass spectrometry Combined method, nuclear magnetic resonance (NMR), etc. The most widely used methods are chromatogra...
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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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