107 results about "Ms analysis" patented technology

One mode of a chromatograph mass spectrometer according to the present invention includes: a measurement unit (1) that includes a chromatograph unit (1A) and a mass spectrometry unit (1B) capable of performing MS / MS analysis, and collects chromatograph mass spectrometry data having three dimensions of time, m / z, and a signal intensity by repeatedly performing the MS / MS analysis by data independent analysis in the mass spectrometry unit on a sample containing a compound separated by the chromatograph unit; a component detection unit (42) that detects a compound and a component corresponding to a partial structure of the compound by obtaining MS / MS spectra of a bar graph presentation based on chromatograph mass spectrometry data over a predetermined m / z range for a target sample, estimating precursor ion peaks in each of the MS / MS spectra, and selecting peaks based on a predetermined standard regarding an m / z direction in each of the MS / MS spectra and a predetermined standard regarding a time direction for peaks that can be considered to be identical or an identical group on the MS / MS spectra; a narrowing unit (43, 44) that narrows down components to be analyzed by performing screening using prior information on the detected component; and a composition estimation unit (45) that, by using m / z information corresponding to a narrowed down component, estimate a composition or a chemical formula of the component.

The invention discloses a construction method and application of a protein fingerprint spectrum of Tilletia foetida teliospore. The method comprises the following steps: firstly, preparing immunomagnetic beads by using a monoclonal antibody for resisting Tilletia foetida teliospore, wherein the immunomagnetic beads are used for specifically enriching target teliospore in a wheat sample; then, the captured magnetic bead-teliospore compound is placed in a formic acid-acetonitrile solution and subjected to efficient cracking through steel ball grinding, and internal protein of the teliospore is released. The released protein is subjected to MALDI-TOF-MS analysis, so that a protein fingerprint spectrum of the protein is obtained, and a characteristic protein fingerprint spectrum database of the fungal spores is constructed. The rapid identification of the Tilletia foetida teliospore is realized by comparing and analyzing the mass spectrum of the sample to be detected and the self-established database. The detection time is shortened to be within 1 h, the sensitivity reaches up to 105 spores per gram of samples, and the method has the advantages of being simple, convenient, accurate and efficient and is particularly suitable for on-site rapid screening in the field of food quality safety.

The present invention relates to the preparation and application of biological peptides, and in particular to a mussel peptide and its application in the preparation of uric acid-lowering products. The amino acid sequence is shown in SEQ ID NO.1‑4. The present invention prepares mussel polypeptides by composite enzyme-directed enzymatic hydrolysis and membrane separation and purification technology, and screens out four novel polypeptides with potential biological activity by combining LC‑MS / MS analysis and activity prediction. Molecular docking and cell experiments have confirmed that these four polypeptides can specifically inhibit GLUT9 protein activity and reduce uric acid levels; animal experiments have further verified their efficacy in lowering uric acid, providing a scientific basis for the high-value development of mussel resources and the development of functional uric acid-lowering products.

The invention belongs to the technical field of drug detection, and particularly relates to a method for detecting lycium barbarum glycopeptide metabolites in rat plasma and tissues based on non-targeted metabonomics. According to the method, after rat lycium barbarum glycopeptides are administered through intragastric administration, blood, liver, intestine, lung and brain tissue samples after administration are collected. A UPLC-Q-TOF-MS (Ultra Performance Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry) analysis method is combined with a statistical analysis method comprising principal component analysis (PCA) and orthogonal-partial least squares discriminant analysis (OPLS-DA) to carry out in-vivo metabonomics analysis on the wolfberry glycopeptide. Then, based on a human metabolome database (HMDB), lycium barbarum glycopeptide differential metabolite is searched, so that the pharmacological action mechanism of the lycium barbarum glycopeptide is clarified from the perspective of metabolism, and a foundation is laid for deep research and development of the medicinal value of the lycium barbarum glycopeptide in future.

This application provides a method for simultaneously detecting hydroxy acids and keto acids in a sample. The method includes the following steps: preparing a standard solution; performing ketone and carboxyl derivatization on the sample to be tested containing hydroxy acids and keto acids to obtain the sample to be tested; performing ketone and carboxyl derivatization on the standard solution to obtain a derivatized standard solution; and sequentially adding a ketone derivatization reagent and... 13 The method involves derivatization with a C6-labeled carboxyl derivatization reagent to obtain an isotope internal standard solution. This solution is then added to both the sample to be tested and the derivatized standard solution for LC-MS / MS analysis. The method described in this application achieves unified detection of paired hydroxy acids and keto acids by selectively derivatizing the ketone group followed by the carboxyl group. A sequential derivatization strategy is constructed based on the functional group differences between keto and hydroxy acids, significantly improving the stability, repeatability, and quantitative reliability of keto acid detection while enhancing overall detection sensitivity.

The invention discloses a detection method of a blood entering component of a Mongolian medicine Tiangu-3 for treating asthma, and relates to the technical field of medicine in-vivo metabolism, and the detection method specifically comprises the following steps: S1, collection of a biological sample: respectively collecting initial blank serum and drug-containing serum for later use; s2, preparation of a biological sample: treating the initial blank serum and the drug-containing serum to obtain blank serum and drug administration serum samples for later use; s3, preparing an in-vitro test sample, namely treating daily check-3 to obtain a traditional Chinese medicine sample for later use; and S4, respectively taking the blank serum, the administration serum and 10 mu L of the traditional Chinese medicine sample, carrying out LC-MS / MS analysis, and determining the in-blood components based on the detection result. The method disclosed by the invention can more comprehensively reveal the characteristics of the drug-derived components after the drug enters the blood, and fills the blank in the fields of qualitative analysis of the components entering the blood and quantitative detection of all the effective components in the Jiaogue-3 (Jiaogue-3) (Jiaogue-3) (Jiaogue-3).

The invention belongs to the technical field of analytical chemistry, and particularly relates to a multifunctional chiral selection reagent solution (CSS) and application of the multifunctional chiral selection reagent solution. More specifically, the invention relates to a multifunctional chiral selection reagent solution for chiralMS (chiralMS) analysis, and the solution is prepared from CuCl2, D-Phe, L-Ph-d5 and D-or L-3'and / or 4 'hydroxyl substituted Kelin lactone. According to the present invention, the on-line non-covalent derivatization can be performed on the enantiomers in the complex system sample by using the multifunctional chiral selection reagent solution and by using the post-column injection liquid chromatography-mass spectrometry (post-column injection liquid chromatography-mass spectrometry / MS, PCI-LC-MS / MS) system so as to achieve the qualitative and quantitative analysis of the enantiomers and the rapid screening of the chiral selection reagent (CS).

The present invention belongs to the technical field of sensorineural hearing. Provided is the use of SPTBN1 as a target in the treatment of GJB2-related sensorineural hearing loss. The use comprises: the construction of a stably transfected cell line, wherein: HEK293T cells are cultured using a DMEM culture medium supplemented with 10% fetal bovine serum and 1% penicillin-streptomycin in a humidified incubator at 37ºC with 95% air and 5% CO2, and when the cells reach 80%-90% confluence, cell passage is performed; IP-MS analysis, wherein: protein complexes are purified using Protein A / G immunoprecipitation magnetic beads, a portion of the extracted proteins is used as input, and then 2 μg of anti-Cx26 antibody is added to the remaining protein extract, same are gently pipetted and mixed, and incubated on a rotating shaker at 4℃ overnight; immunofluorescence observation of the co-localization of Cx26 and SPTBN1, wherein: a stably transfected cell line expressing WT-Cx26 and Mut-Cx26 is constructed; and co-immunoprecipitation (Co-IP) validation, wherein: a stably transfected cell line expressing WT-Cx26 is constructed. The present invention overcomes the limitations of therapeutic methods, such as the relatively low targeting specificity and short therapeutic time windows associated with full-length protein supplementation via gene therapy, thereby providing new insight into GJB2-related hearing loss, and a new target and a new treatment for same.

This invention discloses a method for determining the content of multiple indicators of Jinrong granules absorbed into the bloodstream. The ion chromatogram is obtained using UPLC-Q-TOF-MS / MS analysis. The chromatographic conditions include: flow rate: 0.3–0.5 mL / min; column temperature: 20–30℃; mobile phase: phase A is acetonitrile, and phase B is a 0.04–0.08 mmol / L ammonium formate aqueous solution. The mobile phase comprises acetonitrile and a 0.04–0.08 mmol / L ammonium formate aqueous solution. This invention can simultaneously determine the content of multiple major components of Jinrong granules after absorption into the bloodstream, enabling more comprehensive control of the quality of Jinrong granules. It provides a convenient and efficient method for determining the content of components both in vivo and in vitro, laying a scientific foundation for improving the overall quality standards of Jinrong granules.

The invention provides a magnetic beads-based method for automated, accurate and efficient purification and preparation of biological samples for analysis LC-MS analysis.

The invention relates to a sample pretreatment method for chromite microelement analysis. The method comprises the following steps: firstly, treating a sample to specific particle size distribution (Dv (50) lt, 5 [mu] m, Dv (90) lt, 20 [mu] m) through physical accurate grinding, and then adopting an improved two-step acid dissolution and digestion process: firstly, destroying main crystal lattices of minerals by using mixed acid, then, carrying out targeted dissolution on a residual insoluble phase by using aqua regia, and finally, carrying out chlorine removal treatment to obtain a solution to be detected. Through the synergistic effect of physical accurate grinding and secondary acid dissolution, almost complete decomposition of chromite is achieved, especially the extraction efficiency of key indissolvable elements such as Sc and Zn is improved by 20% or above, the accuracy and precision of ICP-MS analysis results are remarkably improved, and the problem that microelement measured value systematicness is low due to incomplete dissolution in a traditional method is solved.

This invention provides a method for simultaneously detecting 17 heat-processing hazards in 4 categories, comprising: adding n-hexane to the sample, mixing thoroughly, discarding the n-hexane phase, extracting acrylamide, 5-hydroxymethylfurfural, and free heterocyclic amines using dimethyl ketone and ultrasound-assisted extraction, collecting the supernatant, and purifying it; simultaneously transferring the precipitate to another tube, reducing it with sodium tetrahydroborate, hydrolyzing it with hydrochloric acid to release bound heterocyclic amines and late-stage glycosylation products, and performing UPLC-MS / MS analysis. This invention is the first to propose a two-step extraction method for simultaneously determining 17 heat-processing hazards in 4 categories within 7 minutes using UPLC-MS / MS. The accuracy, precision, detection limit, quantitation limit, and recovery rate of the method were verified, and all test indicators met the requirements. This method is applicable to the determination of heat-processing hazards in four types of food matrices: high starch, high protein, high fat, and high sugar.

The application belongs to the technical field of medicine and chemical analysis, and particularly relates to a method for screening alpha-glucosidase inhibitors from pericarpium citri reticulatae and application. The method for screening alpha-glucosidase inhibitors from pericarpium citri reticulatae extract in the application uses alpha-glucosidase as a target, uses affinity ultrafiltration screening technology combined with liquid chromatography-mass spectrometry technology to perform affinity ultrafiltration screening of alpha-glucosidase inhibitors, adds alpha-glucosidase to pericarpium citri reticulatae extract for incubation, then dissociates the obtained receptor-ligand complex, collects a dissociation solution for LC-MS analysis, and through data statistical analysis of compounds contained in the analysis sample and the blank sample, active ingredients capable of specifically binding to the alpha-glucosidase are obtained.

The invention relates to an improved sample preparation method for LC-MS / MS analysis that enables an efficient isolation, purification and identification of protein contaminants, such as host cell proteins (HCPs) as process-related impurities generated during the production of biopharmaceuticals, such as monoclonal antibodies (mAbs).

Methods and compositions for detecting isoaspartate residues in polypeptides using mass spectrometry, and for distinguishing isoaspartate residues from aspartate and / or asparagine residues in a polypeptide using MS analysis. Polypeptides containing one or more isoaspartate residues, or suspected of containing one or more isoaspartate residues, are treated with L-isoaspartyl methyltransferase (PIMT), which is able to selectively modify isoaspartate and impart a mass change to the amino acid residue. The polypeptide is then analysed using mass spectrometry, where a mass change caused by the PIMT reaction is detected and characterized. Preferably, these methods are able to be performed without the use of liquid chromatography or other similar separation techniques prior to mass spectrometry analysis.

One aspect of a mass analysis method according to the present invention is a mass analysis method using a mass analysis device capable of performing DDA-based MS / MS analysis, the mass analysis method comprising: detection steps (S1 to S5) for detecting m / z values of peaks continuously observed for a predetermined period of time on the basis of a mass spectrum obtained by repeatedly performing full-spectrum scanning measurement; a registration step (S6) in which the detected m / z value or an m / z range including the m / z value is registered in an excluded ion list; a precursor selection step (S8) for excluding at least the m / z value or the m / z range registered in the excluded ion list from the precursor selection target in the mass spectrum after the mass spectrum is obtained by full-spectrum scanning measurement, and extracting ions that meet a prescribed precursor selection condition; and a measurement step (S9) of performing MS / MS analysis using the extracted ions as precursor ions following the full-spectrum scanning measurement in the precursor selection step.

The invention relates to the technical field of liquid chromatography / mass spectrometry analysis, and discloses a method for improving LC / MS analysis sensitivity, which is suitable for detecting trace lipid metabolites (containing isomeride) of a biological sample. The core technical scheme is as follows: a magnetic molecularly imprinted polymer-solid phase support liquid-liquid extraction secondary purification system is adopted to remove matrix impurities, a gradient mobile phase containing a composite additive is matched to optimize separation, and the detection specificity is improved by an ion mobility spectrometry-segmented selective ion monitoring combined mode; and a stable isotope internal standard is synchronously introduced to correct quantitative deviation. Experiments show that the LOD of the method is as low as 0.12-0.25 ng / mL, the matrix effect is smaller than or equal to 5%, the separation degree and the recovery rate are excellent, low-abundance metabolic marker differences can be accurately captured, and a support is provided for disease diagnosis and metabonomics research.

The invention discloses a deep-sea sediment rare earth resource rapid prediction and delineation method and related equipment, and the method comprises the steps: obtaining element data corresponding to a sediment sample of a research sea area, and carrying out the data fitting of the element data, and obtaining a regression model; based on the actually measured major element data of each point location of the research sea area, the rare earth content of the corresponding point location of the research sea area is measured and calculated by using a regression model; delineating an enrichment area in the research sea area by combining a preset rare earth content threshold value on the basis of the rare earth content measurement and calculation data; and obtaining the rare earth resource quantity of the research sea area based on regional spatial distribution conversion of the enrichment region. The time, manpower and capital cost required by traditional ICP-MS analysis is remarkably reduced, rapid prediction of a large amount of existing major element data but lack of rare earth elements in ocean drilling and the like can be achieved, rapid rare earth resource evaluation of large-scale sea areas is achieved, the efficiency and feasibility of deep sea rare earth resource exploration are improved, and the method is suitable for popularization and application. The method can be widely applied to the technical field of resource calculation.

The invention belongs to the technical field of environmental science, and particularly relates to an intelligent control method and system for multistage separation of VOCs (volatile organic compounds) in asphalt for GC-MS (gas chromatography-mass spectrometry) analysis. The temperature, the shearing rate and the carrier gas flow parameters of the VOCs release environment are collected through an integrated sensor, a generation unit is intelligently regulated and controlled based on a preset construction working condition model, and a target scene is simulated; after the mixed gas flow is received, a gas flow path and operation parameters of each separation module are dynamically adjusted in a data driving mode, and serialized efficient separation and collection of organic solid particles, organic liquid particles and gaseous VOCs are achieved; in the whole process, outlet data of all the modules are continuously monitored, and fine adjustment control parameters are evaluated and fed back in real time through a built-in optimization algorithm to maintain the optimal separation state; finally, the collected samples of all phases and the whole process data are processed and associated with GC-MS analysis results, and an evaluation report is output. The system correspondingly comprises an intelligent control unit for implementing the steps. According to the scheme, automation, precision and reliability of asphalt VOCs separation analysis are remarkably improved.

The invention provides a novel system and improved method for liquid sample preparation and handling. More particularly, the invention relates to a fully automated system and method for sample preparation and handling of biological samples for analysis (e.g., LC / MS / MS analysis).

The invention discloses a method for detecting emission of unknown volatile organic compounds in a respiratory gas passage in medical care application. In the invention, a method for systematically testing unknown volatile organic compounds (VVOC (very volatile organic compounds), VOC (volatile organic compounds) and SVOC (semi-volatile organic compounds)) by adopting a thermal desorption-gas chromatography-mass spectrometer (TD-GC-MS) is established. The method comprises the following steps: collecting 20L of gas by adopting a TENAX adsorption tube at a flow rate of 500mL / min, carrying out TD-GC-MS (Time Division-Gas Chromatography-Mass Spectrometer) analysis, carrying out qualitative analysis on unknown volatile organic compounds in combination with an NIST database and an artificial spectrum unfolding mode, and then carrying out quantification or semi-quantification on the volatile substances by adopting an external standard curve method. The method is suitable for qualitatively and quantitatively analyzing VOS released by a breathing gas channel according to the ISO 18562-3: 2024 standard, and the clinical use safety of medical instruments containing the breathing gas channel such as a breathing machine pipeline, an anesthesia loop and an oxygen mask connecting pipe is guaranteed.

The invention belongs to the field of biomedical technology analysis, and particularly relates to a high-sensitivity oligonucleotide pharmacokinetic analysis method. The high-sensitivity oligonucleotide pharmacokinetic analysis method comprises the following steps: (1) establishing an LC-MS / MS analysis method for quantifying target oligonucleotide in a biological sample; (2) performing full verification on the LC-MS / MS analysis method established in the step (1) according to a biological analysis guidance principle; (3) detecting a biological sample by using the LC-MS / MS analysis method verified in the step (2) to obtain concentration data; and (4) performing pharmacokinetic parameter calculation based on a detection result in the step (3). Optionally, the oligonucleotide to be detected can be subjected to GalNAc conjugate coupling modification. The LC-MS / MS method may also be replaced by an RT-qPCR, LC-FL, or LC-HRMS method as a paratactic regimen. The invention provides a reliable and compliant analysis means for accurate pharmacokinetic evaluation of oligonucleotide drugs.

A sample preparation workflow to facilitate deep N-glycomics analysis of human serum by capillary electrophoresis with laser induced fluorescence (CE-LIF) detection accommodates the higher sample concentration requirement of electrospray ionization mass spectrometry connected to capillary electrophoresis (CE-ESI-MS). A temperature gradient denaturing protocol is applied on amine functionalized magnetic bead partitioned glycoproteins to avoid precipitation. This also results in the free sugar content of the serum being significantly decreased which allows PNGase F mediated release of the N-linked carbohydrates. The liberated oligosaccharides were tagged with aminopyrene-trisulfonate, utilizing a modified evaporative labeling protocol. This workflow provides appropriate amounts of material for example for use in CE-ESI-MS analysis in negative ionization mode.

The application discloses a Hypsizygus marmoreus extract and a preparation method and application thereof. The extract is prepared from the Hypsizygus marmoreus through a method combining water extraction, alcohol precipitation, macroporous adsorption resin and silica gel column chromatography, UPLC-ESI-MS / MS analysis identifies 830 compounds, and 26 main compound components with a relative content of more than 0.2%; network pharmacology analysis obtains 40 active compounds and 23 T2MD related core target points. The extract can significantly reduce fasting blood glucose and postprandial blood glucose, can significantly reduce serum total cholesterol, triglyceride and low-density lipoprotein cholesterol levels, can improve fatty liver level, can significantly reduce serum inflammatory factors IL-6, TNF-alpha and CRP levels, can significantly increase GLP-1 and serum insulin levels, and can improve intestinal flora alpha diversity, improve beta diversity structure and restore the abundance of beneficial bacteria. The Hypsizygus marmoreus extract has multi-target and multi-metabolic regulation functions, can be used for developing a blood glucose and blood lipid reducing medicine or health food, and has high safety and definite effect.

The invention discloses a detection method for simultaneously determining multiple respiratory pathogens. According to the present invention, with the help of the recognized excellent signal amplification tool-CRISPR / Cas12a system and the DNA nanometer machine, the metal element labeling and the ICP-MS detection technology are assisted, such that the simultaneous detection of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the influenza A virus (H1N1) and the mycoplasma pneumoniae (MP) in the respiratory pathogens is completed so as to easily maintain the respiratory system safety of the whole human. When a compound formed by Cas12a / crRNA is specifically combined with a corresponding target DNA, the trans-shear activity of a CRISPR / Cas12a system can be activated, so that corresponding DNAzyme can be sheared, a DNA nano machine cannot run, lanthanide series metal elements on the DNA nano machine cannot be released, ICP-MS outputs a low signal, and quantitative analysis of multiple DNAs can be realized. The method for detecting the respiratory pathogens can realize simultaneous detection of multiple components, reduces the detection cost and the sample consumption, and has the advantages of high sensitivity and good specificity.

The present invention discloses a quality detection method for a traditional Chinese medicine compound Qingkui Yuyang Decoction. The UPLC-Q-Exactive Orbitrap-MS / MS analysis method is used to qualitatively analyze the chemical components of the six medicinal materials in the Qingkui Yuyang Decoction, namely, coptis chinensis, frankincense, sanguisorba officinalis, indigo naturalis, catechu, and dragon's blood. Then, the high performance liquid chromatography method is used to determine the contents of epicatechin, catechin, rutin, coptisine, and berberine in the Qingkui Yuyang Decoction. The UPLC-Q-Exactive Orbitrap-MS / MS analysis method has the advantages of high resolution, good mass accuracy, and strong qualitative ability, and can perform extensive and accurate detection of the chemical components in complex traditional Chinese medicine compounds. The high performance liquid chromatography can provide detection results with high accuracy, high sensitivity, and good repeatability, is simple and easy to operate, and has passed methodological verification, with good linearity. The precision, stability, repeatability, and recovery rate all meet the requirements. The combination of qualitative and quantitative analysis lays the foundation for the establishment of the quality standard for Qingkui Yuyang Decoction.

The application provides a compound for qualitative or quantitative detection of amine metabolites, and a preparation method and use thereof, and belongs to the technical field of biological detection. The compound is shown as formula I. The compound provided by the application can be used as a photochemical derivatization reagent, and the derivatization reagent has good universality, can realize rapid derivatization of various amine metabolites under mild, green and environmentally-friendly conditions. After the amine metabolites are derivatized, the LC-MS analysis method can be used for qualitative and quantitative detection of the amine metabolites, the detection has good specificity, high sensitivity and accuracy, and high repeatability; in addition, mass spectrometry imaging can be used for visual imaging of the amine metabolites. The application provides a new method for detection of amine metabolites, and has good clinical application prospect.

The invention discloses an essence quality identification method based on a self-established spectrum library and a GC-MS fingerprint spectrum. The method comprises the following steps: establishing a retention index scale; analyzing a standard substance solution; calculating a retention index; inputting a database to obtain a self-built spectrum library; establishing a target essence standard fingerprint spectrogram; a to-be-detected product is analyzed by adopting a general GC-MS (Gas Chromatography-Mass Spectrometer) method, and a result is compared with the standard fingerprint spectrogram of the target essence, so that the components and the content of the to-be-detected product are obtained, and the quality of the to-be-detected product is quantitatively identified. The method has the advantages that objective, accurate, stable and universal scientific identification of the essence quality is realized through a GC-MS (Gas Chromatography-Mass Spectrometer) analysis method integrating a self-built standard substance spectrum library, a retention index (RI) qualitative method, an internal standard semi-quantitative method and a digital fingerprint spectrum.

The present invention provides a method for detecting residual phthalate compounds in samples from crop planting environments, comprising: (1) extraction: pre-treating samples from the crop planting environment, adding an isotope internal standard, and extracting with an extracting solution; (2) concentration and enrichment: concentrating the extracting solution and enriching the target compound through an SPE column; and (3) detection: detecting with HPLC-MS / MS. The present invention finds that phthalate esters are easily converted into phthalate monoesters in an agricultural environment, provides an HPLC-MS / MS analysis method, and gives HPLC-MS / MS spectra of 19 typical phthalate monoester compounds, confirming the spectrum of phthalate monoester compounds remaining in soil and five kinds of vegetables. Compared with direct detection of phthalates, detection of phthalate monoester compounds can more accurately assess the ecological and health risks posed by plasticizers to agricultural planting systems.

This invention discloses a method for screening key lipids during buckwheat storage based on lipidomics and machine learning, belonging to the field of food quality detection and metabolic biomarker screening technology. The method includes: collecting buckwheat samples under different storage conditions; obtaining volatile compound data through GC-MS analysis; acquiring lipidomics data of the buckwheat samples using lipidomics analysis; measuring quality-related indicators of the buckwheat samples; preprocessing the volatile compound data and lipidomics data; constructing a LASSO regression model to extract lipid molecules with non-zero coefficients as the first candidate set of key lipids; constructing a random forest regression model to calculate the importance score of each lipid molecule; and evaluating the predictive performance of key lipid molecules on the changing trends of marker volatile compounds. This invention is the first to combine LASSO regression and random forest regression for screening key lipids during buckwheat storage, overcoming the limitations of single methods, resulting in more scientific and reliable screening results, and providing a new method for revealing the molecular mechanism of buckwheat storage quality formation.