55 results about "Orbitrap" patented technology

The invention relates to the technical field of medicines, relates to a preparation method and application of a genotoxic impurity standard substance in acarbose, and in particular relates to a preparation method and application of a genotoxic impurity N-nitrosyl acarbose in an acarbose tablet. According to the method, the nitrosamine new structure compound NNA is prepared for the first time, the genotoxic impurity NNA with high purity can be effectively prepared through the method, the blank of an impurity preparation method at present is filled, the preparation process is simple, and a large number of high-purity NAA impurity standard substances can be prepared. The invention provides a UHPLC-Orbitrap-HRMS (Ultra High Performance Liquid Chromatography-Orbitrap-High Resolution Mass Spectrometry) combined technology, so that the quality control of the NNA in the acarbose tablet is effectively realized, the side reaction of medication is reduced, and the medication safety is ensured to a certain extent. Meanwhile, reference is provided for quality evaluation of other starting materials or intermediates capable of generating NNA.

The invention provides a full-automatic online detection method for trace polycyclic aromatic hydrocarbon derivatives (SPAHs) in water, which comprises the following steps: (1) pretreatment: standing a water sample, centrifugally filtering to remove suspended matters, adding a prepared mixed standard solution, and directly loading on a machine; (2) enrichment and separation: adopting a Turbo flow C18-XL on-line solid phase extraction column to realize automatic enrichment and matrix purification of the 15 SPAHs, and combining an ultra-high performance liquid chromatography gradient elution program (methanol-ultrapure water system) to realize efficient enrichment and separation; and (3) detection and analysis: performing Full MS-ddMS2 scanning in an APCI (Amplified Peripheral Component Interconnect) source-Orbitrap high-resolution mass spectrum positive and negative ion switching mode to realize synchronous detection of hydroxyl, nitro and oxygen-containing SPAHs. According to the method, a unified detection system covering six hydroxyl polycyclic aromatic hydrocarbons, six oxygen-containing polycyclic aromatic hydrocarbons and three nitro polycyclic aromatic hydrocarbons is constructed for the first time, the detection limit is as low as 0.02 ng / L, and compared with a traditional GC-MS method, the sensitivity is greatly improved, and the sample pretreatment time is greatly shortened. Compared with the prior art, derivatization treatment is not needed, continuous sample injection is achieved through an online solid-phase extraction column regeneration technology, complex matrix interference is effectively eliminated in cooperation with a dynamic elimination function, and a high-sensitivity and high-throughput analysis method is provided for ecological risk assessment of trace SPAHs in underground water and surface water.

The application discloses a compound qualitative identification system and method based on a dual-mode mass spectrum analysis, which utilizes a quadrupole mass spectrometer and an orbitrap mass spectrometer to synchronously provide spectrum information; taking the spectrum of the quadrupole mass spectrometer as an index, a plurality of matching results are obtained through NIST spectrum library retrieval, each matching result comprises a compound name, a matching degree and a possibility; if the matching degree and the possibility both reach a threshold value, the corresponding compound name is taken as a qualitative result; otherwise, the matching degrees are arranged from high to low, the first N matching results are taken as candidate results, and the theoretical mass numbers of fragment ions of the corresponding candidate compounds are determined respectively; the measured mass numbers are determined according to the spectrum information provided by the orbitrap mass spectrometer; the mass accuracies of the N candidate compounds are calculated respectively; the mass accuracies less than or equal to a threshold value are screened and arranged from low to high, and the candidate compounds corresponding to the first M mass accuracies are reserved as qualitative results.

The application relates to the technical field of pharmaceutical analysis, and discloses a pharmacokinetic analysis method of Tongwei Xiaozheng medicinal liquid, which adopts Q-Orbitrap high-resolution liquid chromatography-mass spectrometry to analyze the concentration of Jasmonic acid in blood components of the Tongwei Xiaozheng medicinal liquid in rat plasma, establishes a plasma concentration determination method for the blood original component Jasmonic acid, carries out methodological verification such as specificity, precision and accuracy, and then calculates pharmacokinetic parameters. In the Tongwei Xiaozheng medicinal liquid, 92 blood components are identified, 17 of which are original components and 75 of which are metabolites, the application firstly determines that Jasmonic acid is one of the blood original components of the Tongwei Xiaozheng medicinal liquid, and reveals the pharmacokinetic characteristics of the Jasmonic acid in normal and model rats. The method has strong specificity, high sensitivity and good reproducibility, and can provide a scientific basis for the research on the pharmacodynamic material basis of the Tongwei Xiaozheng medicinal liquid, the establishment of quality control standards and the clinical rational use of drugs.

The present invention discloses a composite ion source device for coupling an atmospheric pressure interface orbital trap mass spectrometer, belonging to the field of mass spectrometry detection, and comprising a photoionization / photoinduced association ionization and ion transmission mechanism, a gas sampling mechanism, a high-throughput radio frequency vacuum ultraviolet light source mechanism, and an ion source and mass spectrometer interface mechanism. The present invention adopts the above-mentioned composite ion source device for coupling an atmospheric pressure interface orbital trap mass spectrometer, so that organic components of different polarities, ionization energies, and ion affinities in complex mixtures can be efficiently ionized. Through reasonable structural design, the device is coupled with a high-resolution orbital trap mass spectrometer with an atmospheric pressure interface to achieve a broadened detection range of complex organic components and improve the resolution and detection sensitivity of low-abundance or high-molecular-weight organic components.

The invention discloses a method for determining the content of multiple carbonyl compounds in cigarette smoke, which comprises the following steps: S1, smoking a cigarette, and capturing the carbonyl compounds in the cigarette smoke by using a filter disc on which DNPH-phosphoric acid is applied, wherein carbonyl compounds in the cigarette smoke react with DNPH on the filter disc under the acidic condition, so that the filter disc with the carbonyl compounds is obtained; s2, putting the filter disc with the carbonyl compound into a container, adding an extracting agent to obtain an extracting solution, then filtering the extracting solution by adopting a microfiltration membrane to obtain a filtrate, and adding pyridine and an internal standard solution into the filtrate to obtain a sample solution; and S3, determining the sample solution by using an ultra-high performance liquid chromatography-quadrupole electrostatic field orbitrap mass spectrometer to obtain the concentration of each carbonyl compound in the cigarette smoke to be detected. The method provided by the invention can realize simultaneous analysis of 16 carbonyl compounds.

The application belongs to the technical field of analytical chemistry, and discloses a qualitative analysis method of ethinyl estradiol and degradation products thereof, which comprises the following steps: determining an accurate mass database and a mass spectrum library of the ethinyl estradiol and degradation products thereof to be detected by using an ultra-high pressure liquid chromatography-quadrupole-electrical field orbitrap high resolution mass spectrometer; detecting the sample by using the ultra-high pressure liquid chromatography-quadrupole-electrical field orbitrap high resolution mass spectrometer; and comparing and analyzing the detection result of the sample with the established accurate mass database and mass spectrum library, so that when the detection result matches the information of the accurate mass database and mass spectrum library, it is determined that the ethinyl estradiol and degradation products thereof to be detected are detected in the sample. The application can realize high-precision qualitative analysis of the sample to be detected by searching for parent ions and daughter ions of the ethinyl estradiol and degradation products thereof by using the ultra-high pressure liquid chromatography-quadrupole-electrical field orbitrap high resolution mass spectrometer, and establishing a high-resolution database.

The application provides a static orbiting trap mass spectrometer with multiple ion sources, which comprises a static orbiting trap and an ion source. The static orbiting trap comprises a conical inner electrode and an outer electrode coaxially sleeved on the outside. The outer electrode is formed by the butt joint of two hollow conical electrode cylinders. The cavity between the outer electrode and the inner electrode constitutes an ion analysis cavity. The ion source is arranged on the side of the static orbiting trap. The ion source is in a cylindrical shape and emits ions along the axis. The ion source comprises repulsion electrodes, an ionization chamber and a lens sleeve which are sequentially arranged along the axis. An incident slot is formed on the outer wall of one of the electrode cylinders. The ion source emits ions into the incident slot, so that the ions enter the ion analysis cavity and move in the same spiral direction. There are at least two ion sources. One of the ion sources emits small mass number ions, and the other emits large mass number ions. The two ion sources are directly coupled with the static orbiting trap, which can weaken the mass discrimination effect, realize the detection and analysis of small mass number ions, and improve the mass range.

The invention discloses a method for screening, identifying and risk evaluating PFAS in surface water and application, and belongs to the technical field of environment monitoring analysis and risk evaluation. The technical problem to be solved is to provide a method with the advantages of high pretreatment efficiency, wide screening range, accurate quantitative analysis, fine risk assessment and the like aiming at the problems of incomplete PFAS screening coverage, inextreme quantitative sensitivity and non-detailed risk assessment in the prior art. According to the technical scheme, the method is characterized in that the pretreatment process of a surface water sample is optimized through full-automatic solid-phase extraction equipment, and comprehensive identification and accurate analysis of traditional and emerging PFAS are achieved in combination with non-targeted screening of Orbitrap Explores 120 high-resolution mass spectrometry and targeted quantification of 7500 triple quadrupole mass spectrometry; and comprehensive evaluation of ecological and health risks is completed through a risk entropy model and a human body multi-tissue cell toxicity experiment.

The invention discloses a mass spectrometric detection method for bisphenol A in milk through rotary evaporation pretreatment and multi-charge peak analysis. The mass spectrometric detection method comprises the following steps: step 1, carrying out rotary evaporation pretreatment on fresh milk; step 2, carrying out rotary evaporation treatment on the milk sample; 3, omics analysis of lipid, metabolites and protein is completed, and UHPLC-Q-Orbitrap HRMS strategy processing based on vDIA is achieved; and 4, analyzing the group database by adopting a multi-charge overlapping peak extraction algorithm and a graph neural network strategy to realize substance identification. The invention belongs to the technical field of mass spectrometry, and solves the problems that the detection error is large when microgram / L-level trace detection of bisphenol A in milk is carried out in the prior art, and false positive is easy to occur due to a wide mass window in the traditional extraction ion chromatography.

The invention relates to the technical field of food detection, and discloses a dregs vinegar fingerprint spectrum construction method and application, the steps are as follows: sample preparation, detection according to specific liquid chromatography-mass spectrometry conditions: Synrgi 4uHydro-RP 80A chromatographic column, acetonitrile-formic acid / phosphoric acid aqueous solution gradient elution, Orbitrap Explorer 120 mass spectrometer and the like. An included angle cosine method, a self-compiled R language program and Python analysis are adopted to establish the dregs vinegar fingerprint spectrum. The fingerprint spectrum of the dross vinegar provided by the invention can comprehensively reflect common chemical components of the dross vinegar, can also be used for quality control, authenticity identification and industrial standardization of the dross vinegar, effectively standardizes the market, and solves the problem of uneven industrial quality.

The invention provides a liquid chromatogram-high resolution mass spectrum combined detection method for perfluorinated compounds in an environment, and belongs to the technical field of compound detection. The method comprises the following steps: pre-treating a to-be-detected water sample, optimizing chromatographic and mass spectrum conditions, and detecting a to-be-detected sample solution by adopting quadrupole rod-electrostatic field orbitrap high-resolution mass spectrum. By optimizing the parameters of the eluent in the chromatography, the matrix interference is effectively removed, the standard addition recovery rate, accuracy and precision of the sample are high, the experimental result is accurate, the error is small, the rapid screening of the target compound can be met, and the detection result is accurate.

A method for component analysis of sauce-aroma Baijiu on the basis of untargeted metabonomics technology, and the use thereof. The analysis method comprises the following steps: (1) sampling, involving: taking a sauce-aroma Baijiu sample as a sample to be subjected to detection, without requiring any sample pretreatment; (2) detection and analysis of said sample on the basis of an ultra-high performance liquid chromatography-quadrupole Orbitrap mass spectrometry technique, wherein after all the components in said sample are separated by means of ultra-high performance liquid chromatography, the components directly enter a mass spectrometer for determination; and (3) qualitative analysis, involving: performing qualitative analysis on the components in said sample on the basis of the data obtained from the determination in step (2), wherein the chromatographic column of the ultra-high performance liquid chromatography is InfinityLab Poroshell HPH-C18 (2.1×100 mm, 1.9 μm). The provided method can achieve more comprehensive and more accurate analysis of components in sauce-aroma Baijiu, and provides a brand-new development direction for detailed analysis of chemical components in Baijiu.

The application discloses a kind of Sabina pollen aerosol chemical component detection and feature database construction method, comprising the following steps: (1) sample processing: collecting Sabina flower, after drying and crushing, extraction is obtained to be measured solution;(2) using the method of ultra-high performance liquid chromatography-quadrupole / or electrostatic field orbitrap high-resolution mass spectrometry, small molecule chemical components in Sabina pollen are systematically separated and identified;(3) data processing: including database establishment, data acquisition and processing, relevant literature search, representative compound selection and cleavage rule derivation.The present application not only lays a theoretical foundation for the rapid screening of Sabina pollen allergenic small molecule markers, the analysis of allergenic mechanisms, and the prevention and control of spring pollen allergy, but also provides a referenceable technical method for the identification of chemical components and mass spectrometry behavior research of similar pollen plants.

The application discloses a filter enrichment detection device, which comprises a filter enrichment device and a detection device. The filter enrichment device comprises a multi-stage filter device (11), an enrichment diffusion resolution device (12) and a suction pump (13). The detection device comprises a single-photon ionization time-of-flight mass spectrometer (21) and an orbitrap mass spectrometer. The application also discloses a detection method for cigarette aerosol by using the device. The device can accurately determine the content of harmful substances and main components in the cigarette aerosol.

The application provides a voltage compensation method, device, equipment and mass spectrometer. The method comprises the following steps: setting a plurality of first voltage combinations for a plurality of adjustable electrodes on an orbitrap structure of a mass spectrometer; determining a first frequency variance based on corresponding electrostatic field distributions of the plurality of first voltage combinations on the plurality of adjustable electrodes; inputting a training data set into a preset prediction model for first iteration optimization to obtain a second voltage combination; inputting the second voltage combination and a second frequency variance corresponding to the second voltage combination into the prediction model for second iteration optimization to obtain a third voltage combination; and performing voltage compensation on each adjustable electrode on the orbitrap structure based on the third voltage combination. In the application, the step of determining the optimal voltage combination is greatly simplified, and the calculation time for determining the compensation voltage is reduced.

The invention relates to the technical field of single cell analysis of cell biology and analytical chemistry, in particular to a flow type single cell scale adjustable device for electrospray ionization mass spectrometry and an adjusting method. According to the present invention, the detection requirements of multi-size cells can be met, the target cells with different sizes in the range of 10-100 [mu] m can be screened through the arched channel switching of the arched shunting capture module, and the comprehensiveness of the detection sample can be ensured. According to the device, the arched channels can be rapidly switched to adapt to cells of different sizes without disassembling the device, continuous operation of sample introduction, screening, extraction, ionization and detection is realized through integrated flow design, high throughput and convenience are taken into account, and the device is adaptive to diversified environmental pollutant exposure metabolism research scenes. The cell suspension and the diluent are mixed on line to reduce non-volatile salt interference, the high-voltage electric field and the sheath gas cooperate to improve ionization efficiency, qualitative and quantitative analysis is achieved through orbitrap mass spectrometry, reliable data support is provided for accumulation, distribution and metabolic transformation characteristics of pollutants in cells, and detection accuracy is guaranteed.

The invention discloses a method and equipment for rapid screening and targeted quantification of perfluoroalkyl compounds and polyfluoroalkyl compounds in serum, and belongs to the field of detection of perfluoroalkyl compounds and polyfluoroalkyl compounds. The method comprises the following steps: (1) preparing a standard solution and a standard curve for screening library construction and quantitative analysis; (2) screening the standard solution by using an electrostatic field orbitrap high-resolution mass spectrum and constructing a PFAS secondary screening mass spectrum database; (3) enriching and concentrating the serum sample by using small-volume liquid-liquid extraction to obtain a detection sample; (4) carrying out non-targeted screening on the detection sample by adopting the constructed PFAS secondary screening mass spectrum database, and providing semi-quantitative PFAS concentration estimation in combination with a reference substance and an alternative internal standard; and (5) constructing a UPLC-MS / MS quantitative analysis method based on a semi-quantitative screening result, and accurately determining the specific concentration of the PFAS in the detection sample.

The invention discloses a method for establishing a high-resolution mass spectrum database for screening drugs in food and application thereof, and belongs to the technical field of food analys.The method comprises the following steps that methyl alcohol serves as a solvent to dissolve standard substances of equal-mass target compounds, a single-standard stock solution or a mixed-standard stock solution is obtained, and then a standard solution with the concentration being 1.00 mg / L is prepared; obtaining the retention time, fragment ion information and optimal collision energy of the target compound by using an ultra-high performance liquid chromatography-electrostatic field orbitrap high-resolution liquid chromatograph-mass spectrometer; the method comprises the following steps: accurately importing information of a target compound into TraceFinder software, and constructing a targeted screening acquisition method and a screening database; and calling the database in the TraceFinder software to carry out retrieval, and setting retrieval parameters. According to the method provided by the invention, 400 compounds (including isomeride) can be separated, the detection is more accurate, and the working efficiency of daily inspection and the risk monitoring level of illegal addition in food are greatly improved.

The invention discloses a method for detecting chemical components in Kujin collateral dredging capsules based on a UPLC-Q-Orbitrap HRMS (High Resolution Mass Spectrometry) technology. The method comprises the steps of preparation of a test solution, detection and analysis of the chemical components, identification of the chemical components and the like. According to the method, pretreatment of the sample solution is simple, detection is accurate and sensitive, consumed time is short, the chemical components in the Kujin collateral dredging capsules can be effectively separated and identified within 25 min, high-throughput analysis and identification of the chemical components in the Kujin collateral dredging capsules are achieved, the chemical components in the Kujin collateral dredging capsules are rapidly and comprehensively analyzed, and the method is suitable for large-scale popularization and application. The basis is provided for further researching the pharmacodynamic material basis and the comprehensive quality control of the Kujin collateral dredging capsule.

The application provides a device and a control method for improving ion storage and ejection efficiency of an electrostatic field orbitrap mass spectrometer, the device comprising a power supply for applying radio frequency voltage and direct current voltage to electrodes; a plurality of groups of electrodes including a central group of electrodes and a peripheral group of electrodes, the central group of electrodes having an ion exit hole, and the peripheral group of electrodes being symmetrically arranged about the central group of electrodes; each group of electrodes surrounding an ion channel, and the plurality of groups of electrodes being sequentially arranged to form a linear ion channel, the power supply applying radio frequency voltage and direct current voltage to each group of electrodes; the gap J between the nth group of electrodes and the (n+1)th group of electrodes being gradually increased from the central group of electrodes to the peripheral group of electrodes n The application meets the condition and has the advantages of simple structure.

The invention discloses a compound qualitative identification system and method based on dual-mode mass spectrometry. The method comprises the following steps: synchronously providing spectrogram information by using quadrupole rod mass spectrometry and orbitrap mass spectrometry; a spectrogram of the quadrupole mass spectrum is used as an index, a plurality of matching results are obtained through NIST spectrum library retrieval, and each matching result comprises a compound name, a matching degree and possibility; if the matching degree and the possibility both reach the threshold value, taking the name of the corresponding compound as a qualitative result; otherwise, arranging the matching degrees from high to low, taking the first N matching results as candidate results, and respectively determining theoretical mass numbers of fragment ions of corresponding candidate compounds; determining an actually measured mass number according to spectrogram information provided by the orbitrap mass spectrum; calculating the respective quality precision of the N candidate compounds; the quality precision smaller than or equal to the threshold value is screened and arranged from low to high, and candidate compounds corresponding to the first M quality precision are reserved to serve as qualitative results.

The invention relates to the technical field of drug metabolic component analysis, in particular to a method for detecting in-vivo prototype components and metabolic components of a dripping pill with a refreshing and refreshing throat. According to the present invention, based on the GC-MS and the UHPLC / Q Exactive Plus MS technology, the detection method of the in vivo prototype component and the metabolic component is established; wherein the non-volatile prototypes and metabolites are detected by adopting UHPLC-MS / MS (Ultra High Performance Liquid Chromatography-Mass Spectrometry / Mass Spectrometry) according to the following specific conditions: chromatographic conditions: an LC (Liquid Chromatography) system: Vanquishhorizon; the chromatographic column is Hypersil gold, 2.1 * 100 mm, 1.9 [mu] m; the column temperature is 40 DEG C; the sample size is 1 [mu] L; the flow rate is 0.3 mL * min <-1 >; the composition and gradient of a mobile phase are as follows: A: 0.1% formic acid-acetonitrile, and B: 0.1% formic acid-water; the mass spectrum conditions are as follows: an MS system: Orbitrap Explores 240; the scanning mode is HESI + amp; hESI <->; the taper hole voltage is 3.5 kV (HESI-), and the taper hole voltage is 2.5 kV (HESI-); the temperature of the solvent removing gas is 350 DEG C; the atomization gas is 50 arb; solvent gas removal: 10 arb; the capillary tube is 320 DEG C; the scanning range (m / z) is 100-1500; the resolution ratio (MS) is 70000; and the resolution ratio (MS / MS) is 15000. The patent develops a method for identifying in-vivo prototype drug components and metabolites of the in-vivo prototype drug components, and the metabolic pathway and excretion rule of the drug can be determined through analysis, so that a scientific basis is provided for quality control of a preparation and fundamental research of pharmacological substances.

The application discloses a kind of based on offline two-dimensional high-speed counter-current chromatography-ultra-high performance liquid chromatography tandem quadrupole electrostatic field orbitrap mass spectrometry-molecular network enhanced chemical composition characterization method;The application first proposes that counter-current chromatography is combined with ultra-high performance liquid chromatography tandem quadrupole electrostatic field orbitrap mass spectrometry and feature-based molecular network, for comprehensively characterizing the chemical components in complex sample (for example: white and root), significantly improve the detection of trace component, realize more comprehensive chemical component characterization.

The invention discloses a zebra fish-based spatial resolution lipidomics method, and belongs to the technical field of biological medicines. The zebrafish-based spatial resolution lipidomics method provided by the invention comprises the following steps: separating a zebrafish trunk from yolk; sample pretreatment and chromatography-mass spectrometry detection. According to the method, yolk is sucked by a pipettor, trunks are cleaned in batches by a vortex instrument, after the trunks and the yolk are pretreated, a sample is subjected to lipidomics detection by an ultra-high performance liquid chromatography tandem quadrupole electrostatic field orbitrap high-resolution mass spectrometer, and further data analysis is performed. According to the method, the trunk and yolk samples which can be used for high-quality and high-coverage lipidomics analysis are obtained while high sample flux is maintained for the first time, and regionalized analysis of zebrafish embryo / larva lipid metabolism is realized. The method has the advantages of simple sample mechanism, low lipid signal interference, high sensitivity and the like, and can detect inrecognizable subtle changes and key lipid molecules in the whole sample.

The invention relates to the field of biological detection, in particular to a method for separating, detecting and identifying flavonoid components in cocoa. The invention provides a method for high-throughput identification of flavonoid substances in cocoa. The method comprises the following steps: 1) extracting the flavonoid substances in the cocoa by using an ultrasonic extraction technology; (2) detecting flavonoid components by using an ultra-high performance liquid chromatography-orbitrap mass spectrometry technology; 3) establishing a standard map of cocoa flavonoid components; and 4) carrying out first-step operation and second-step operation on cocoa to be identified, and then comparing the cocoa with the standard map established in the third step so as to finish the separation and identification of the flavonoid substances. According to the method for identifying cocoa flavonoid substances, the flavonoid substances in cocoa can be rapidly and efficiently extracted and detected, and the influence of isomeride ion interference is reduced.

The invention relates to the technical field of Chinese patent medicine analysis, in particular to a multi-component characterization method of Jichuan decoction and application of the multi-component characterization method. According to the multi-component characterization method provided by the invention, an off-line two-dimensional liquid chromatography tandem quadrupole-electrostatic field orbitrap high-resolution mass spectrometry technology is adopted, and efficient and accurate analysis of various chemical components of Jichuan decoction is realized through specific chromatographic conditions and mass spectrometry conditions. By means of the method, more than two hundred compounds can be identified from the Jichuan decoction, the compounds contain flavonoids, terpenoids, phenylethanoid glycosides, organic acids, coumarins, phenylpropanoids, iridoids, phthalides, steroids and other components, and reference can be provided for research of pharmacodynamic substances of the Jichuan decoction.

The application provides a high-resolution mass spectrometry method for screening Ganoderma lucidum adulterated with Ganoderma amphiacep. The method belongs to the technical field of medicine analysis and comprises the following steps: preparing a test sample solution from a to-be-tested Ganoderma lucidum sample; using an ultra-high performance liquid chromatography-electric field orbitrap high-resolution mass spectrometry technology to detect the test sample solution under a negative ion mode and with 0.1% formic acid-acetonitrile gradient elution; extracting characteristic ions with mass-to-charge ratios of 357.17 and 599.32 from a total ion chromatogram obtained through detection; and determining that the to-be-tested Ganoderma lucidum sample contains Ganoderma amphiacep if a chromatographic peak with a mass-to-charge ratio of 357.17 and two isomer chromatographic peaks with a mass-to-charge ratio of 599.32 are detected simultaneously. The application uses high-resolution mass spectrometry to screen specific characteristic compounds of Ganoderma amphiacep, establishes a unified screening method suitable for medicinal materials, decoction pieces and Chinese patent medicines, and solves the problem that the prior art cannot distinguish Ganoderma amphiacep from genuine Ganoderma lucidum.

The invention provides a non-target analysis method for combustion heat released organic components based on multi-platform chromatography-mass spectrometry. According to the method, a sample decomposition characteristic temperature interval is determined through thermogravimetric analysis, a simulated thermal treatment experimental platform is constructed, and comprehensive coverage detection of volatile, semi-volatile and polar organic components is realized based on a gas chromatography-quadrupole time-of-flight high-resolution mass spectrum (GC / QTOF-HRMS) and a high performance liquid chromatography-orbitrap high-resolution mass spectrum (LC / Orbitrap-HRMS). According to the method, the compound confidence level is judged by fusing multi-platform non-target grading credibility, the identification accuracy is improved by using an adduct ion and fragment information complementation mode, and compound classification, statistics, detection rate calculation, structural formula generation and feature integration are realized by combining a small automatic data processing algorithm based on rules. According to the method, the coverage range and efficiency of a non-target screening strategy can be remarkably improved.

The application belongs to the field of traditional Chinese medicine preparation analysis, and specifically discloses a method for rapidly identifying main chemical components in Guipi mixture by using ultra-high performance liquid chromatography-quadrupole-electric field orbitrap high-resolution mass spectrometry (UHPLC-Q-Exactive MS) technology, which realizes the purpose of rapidly qualitatively identifying 115 components such as phenylalanine, phthalide, flavonoids, ketones and terpenes in Guipi mixture. The method has the advantages of simplicity, rapidness, high efficiency and sensitivity, and can provide evidence for establishing the interaction between the components and the curative effect of Guipi mixture, and provide basis for the research on the safety and effectiveness of clinical medication.