Method for automatically analyzing GC-MS (Gas Chromatography-Mass Spectrometry) overlapping peak to accurately recognize compounds
An accurate identification and automatic analysis technology, applied in the field of analyzing gas chromatography-mass spectrometry data, can solve the problems of inability to promote non-targeted metabolomics, automatic data analysis, and difficulty in overlapping signal analysis.
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[0026] In combination with the accompanying drawings of the present invention, the technical solutions of the embodiments of the invention will be further elaborated in detail.
[0027] The present invention demonstrates the whole process of the method for automatically analyzing GC-MS overlapping peaks and accurately identifying compounds through the following examples.
[0028] S1: Plant sample pretreatment:
[0029] Tobacco leaf samples were freeze-dried and pulverized. Weigh 100 mg of the sample, extract with 5 mL of dichloromethane, vortex, sonicate and centrifuge, take 1 mL of the supernatant, dry it, add 100 μL of BSTFA, and derivatize at 70 ° C for 1 h. After GC-MS analysis, the compound data information after single-sample GC-MS analysis is obtained. The GC-MS analysis conditions are as follows: Chromatographic conditions: the chromatographic column is an Agilent DB-5MS column (60m×2.5mm, i.d., 2.5μm). The temperature was programmed to rise, the initial column temp...
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