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415 results about "Resolution (mass spectrometry)" patented technology

In mass spectrometry, resolution is a measure of the ability to distinguish two peaks of slightly different mass-to-charge ratios ΔM, in a mass spectrum.

Soil organic pollutant identification method and system based on combination of AI and high-throughput screening

The invention discloses a soil organic pollutant identification method and system based on combination of AI and high-throughput screening, and relates to the technical field of pollutant screening, and the method comprises the following steps: extracting a substance peak from high-resolution mass spectrum data of a soil sample; the method comprises the following steps: establishing an organic pollutant mass spectrum database, extracting spectrogram characteristics and structural characteristics of compounds in the organic pollutant mass spectrum database, establishing a molecular fingerprint prediction model, and establishing a mapping relation from a spectrogram to a structure; constructing a spectrogram vector prediction molecular fingerprint according to the extracted substance peaks, and retrieving by using an organic pollutant mass spectrum database to obtain candidate chemical structures; scoring the candidate chemical structures by predicting the molecular fingerprints, selecting the chemical structures meeting a preset standard, constructing a recognition basis according to the selected chemical structures, and obtaining an organic pollutant recognition result of the soil sample. According to the method, non-targeted intelligent analysis is carried out through cross fusion of artificial intelligence and mass spectrometry, and rapid and accurate identification of soil organic pollutants is realized.
Owner:BCEG ENVIRONMENTAL REMEDIATION CO LTD

High-flux metabolite detection method and application thereof

The invention relates to the technical field of metabolite detection, in particular to a high-flux metabolite detection method and application thereof. According to the detection method, metabolites in a biological sample to be detected are detected by using a liquid chromatography-mass spectrometry technology, wherein mass spectrometry is quadrupole electrostatic field orbitrap high-resolution and triple quadrupole mass spectrometry; the mass spectrum conditions of the MRM ion pair are as follows: acquiring data in an NFSWI-DDA, NFSWI-DIA or DIA mode in a positive and negative ion mode, and acquiring and annotating the MRM ion pair; the MRM list is transited to triple quadrupole mass spectrometry, and the mass spectrometry conditions of the triple quadrupole mass spectrometry include verification and detection of MRM ion pairs in positive and negative ion modes. The detection method can meet the requirements of precise medical research on metabolite coverage rate, quantitative stability and detection flux, can be used for semi-quantitative and quantitative combined detection of metabolites in various biological samples, has applicability, and can provide technical support for disease diagnosis, drug development and biomarker discovery.
Owner:TIANJIN CITY THIRD CENT HOSPITAL

Aircraft oil leakage detection method based on high-sensitivity mass spectrometry technology

The invention belongs to the technical field of aircraft oil leakage monitoring, and relates to an aircraft oil leakage detection method based on a high-sensitivity mass spectrometry technology, and the method comprises the steps: obtaining a time-resolved mass spectrogram of aviation kerosene molecules in a sample testing stage, and storing the time-resolved mass spectrogram in a database; then oil gas molecules are captured at leakage-prone points of an aircraft pipeline system through a gas collection probe, the captured oil gas molecules are transmitted to an ion source end of a proton transfer reaction mass spectrometer through a negative pressure transmission system to be ionized to generate ions, and the ions are analyzed by a mass analysis system to obtain a mass spectrum; comparing the mass spectrogram obtained by analysis with a time-resolved mass spectrogram in a database, and judging whether leakage occurs or not; based on the method, the problems of insufficient anti-interference capability, difficulty in sample collection and the like of a high-sensitivity mass spectrum oil gas leak detection method can be solved in a targeted manner, and the functions of environmental interference suppression, efficient collection of oil gas molecules, improvement of spatial scanning resolution and the like can be realized at the same time.
Owner:CHENGDU ALIEBN SCI & TECH CO LTD

Conjoint analysis method for analyzing interaction between small molecule substance and targeted protein

The invention belongs to the field of functional proteomics research, and particularly relates to a combined analysis method for analyzing interaction between a small molecule substance and a targeted protein, which is used for analyzing the small molecule substance and the protein by adopting LiP-MS (Limited Protein-Mass Spectrometry) technology and phosphorylated proteome combined analysis. According to the method, the optimized LiP-MS technology is adopted, the target protein can be directly recognized under the complex proteome background without enriching specific protein, and the problem that low-abundance protein is difficult to detect is solved; phosphorylated proteome abundance transformation protein is analyzed by combining high-resolution mass spectrometry, so that the recognition capability on a drug target and a shear variant thereof is enhanced, and the detection sensitivity is improved.
Owner:SHANGHAI ZHONGKE RUNDA MEDICAL LAB CO LTD

Mass spectrum imaging space super-resolution reconstruction method and system based on label propagation network

The invention discloses a mass spectrum imaging space super-resolution reconstruction method and system based on a label propagation network, and the method comprises the steps: carrying out the preprocessing of MSI data, and obtaining the low-dimensional representation of the MSI data; representing the low dimension with the Hamp; e, registering the dyed image; for the Hamp; e, performing spatial segmentation on the dyed image to obtain a plurality of image blocks, and constructing a label propagation network for each image block; taking the MSI data as a label of a matched node in the network, propagating the MSI data along the network, and updating the label of the network node at the same time; and fusing the node labels with the statistics-based features, constructing a regression model to calculate the features of each superpixel, and realizing the spatial super-resolution reconstruction of the MSI. According to the invention, the Hamp is fused in the MSI; the method comprises the following steps: according to structural information of an E image, realizing global multi-modal registration through local affine transformation registration, and performing Hamp; and the E dyeing microscopic image is replaced by a high-resolution medical image of other modals, so that mass spectrum imaging super-resolution reconstruction driven by other modals can be realized, and the MSI spatial resolution is improved.
Owner:XIAMEN UNIV

Double-pulse system and method for improving depth resolution of laser ionization mass spectrum

The invention discloses a double-pulse system and method for improving depth resolution of laser ionization mass spectrometry, and relates to the technical field of mass spectrometers, the system comprises a control system for controlling femtosecond laser parameters generated by a femtosecond laser and nanosecond laser parameters of a nanosecond laser; the laser energy regulation and control module is used for carrying out phase adjustment and detection on the input femtosecond laser and outputting the femtosecond laser meeting set parameters based on the femtosecond laser parameters; the light beam shaping and light beam morphology analysis module is used for shaping femtosecond laser and focusing the femtosecond laser on the surface of the sample for laser denudation; the nanosecond laser performs off-resonance multi-photon ionization on the denudated neutral particles to generate ionized ions for mass spectrometry. According to the invention, the depth resolution of the laser ionization mass spectrum can be improved to nanoscale, the ionization efficiency of ions is improved under the condition of reducing the sampling amount, and meanwhile, the sensitivity of an instrument and the accuracy of quantitative analysis are improved.
Owner:XIAMEN UNIV

Method for representing structure and effect of protein based on extreme ultraviolet laser dissociation and mass spectrometry

The invention relates to an analysis method for characterizing structures and interaction of non-denatured proteins and compounds thereof based on pulse extreme ultraviolet laser dissociation and mass spectrometry detection. Protein interacts with large and small molecules such as metal ions, drug small molecules, protein, nucleic acid or polysaccharide to form a protein compound. Natural protein and protein compound samples in a biocompatible neutral solution enter a gas phase through a non-denaturing electrospray ionization technology, then radiation excitation is performed on the natural protein and protein compound samples through pulse extreme ultraviolet laser, dissociation is induced to generate protein structure characteristic fragment ions, and finally detection and spectrogram recording are performed on the fragment ions through mass spectrum. According to the invention, the technology for characterizing the structure and interaction of the non-denatured protein and the compound of the non-denatured protein by the extreme ultraviolet band laser is realized for the first time internationally, and the method has the remarkable advantages of high sensitivity, high flux, single amino acid site resolution and the like in the aspect of researching fine structures and conformation dynamic changes of protein-protein and protein-micromolecule interaction interfaces.
Owner:DALIAN INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES

13C, 15N stable isotope labeled polypeptide abundance determination method based on high-resolution mass spectrum

The invention provides a 13C and 15N stable isotope labeled polypeptide abundance determination method based on a high-resolution mass spectrum, and belongs to the technical field of high-resolution mass spectrum determination. The determination method comprises the following steps: selecting a certified standard substance to calculate the system deviation delta 1 of the high-resolution mass spectrometer; calculating a theoretical relative deviation delta 2 of 13C and 15N isotopes in the 13C and 15N stable isotope labeled polypeptide according to a formula 2; collecting and recording a mass spectrum signal of a to-be-measured sample, and calculating to obtain an actual measurement relative deviation delta 3 of the to-be-measured sample; and when delta2 > delta3 > delta1, calculating the abundance value of the corresponding isotope label according to a formula 3 and a formula 4. According to the method disclosed by the invention, the flow injection sample is directly detected by adopting the high-resolution mass spectrometry, so that the detection speed is high, the high resolution is ensured, and the detection time is saved; only the response intensity and the m / z value of a target ion peak are needed for the analysis of a mass spectrum, and the operation is simple and convenient.
Owner:NATIONAL INSTITUTE OF METROLOGY CHINA

Detection method for measuring isotope abundance of 15N or 18O labeled nitrate sample by using organic mass spectrum

The invention relates to a detection method for determining isotope abundance of a 15N or 18O labeled nitrate sample by using an organic mass spectrum. The detection method comprises the following steps: (1) dissolving the 15N or 18O labeled nitrate sample in a methanol aqueous solution; (2) taking the supernatant, filtering with a filter membrane, and diluting with a methanol aqueous solution to obtain a solution to be detected; and (3) detecting the solution to be detected by using a high-resolution liquid chromatograph-mass spectrometer, selecting a mass spectrum in a peak appearance time window, recording relative mass spectrum signal intensities with mass-to-charge ratios of 61.988 and 62.985, and calculating to obtain the 15N isotope abundance. Or recording the relative mass spectrum signal intensities with the mass-to-charge ratios of 61.988, 63.993, 65.997 and 68.001, and calculating to obtain the abundance of the < 18 > O isotope. Compared with the prior art, the method has the advantages that the sample pretreatment time is greatly shortened, the economic cost is low, and the test result is accurate.
Owner:SHANGHAI RES INST OF CHEM IND CO LTD

Method for detecting trace elements in GH4169 high-temperature alloy by using secondary ion mass spectrometry

The invention discloses a method for detecting trace elements in a GH4169 high-temperature alloy by using secondary ion mass spectrometry, which specifically comprises the following steps: A1, firstly, carrying out necessary pretreatment on a GH4169 high-temperature alloy sample to remove surface pollution and an oxide layer; a2, selecting a time-of-flight secondary ion mass spectrometer, setting proper analysis parameters, and selecting a double-plasma O2 + ion source. The invention relates to the technical field of metal material trace chemical component analysis. According to the method for detecting the trace elements in the GH4169 high-temperature alloy by using the secondary ion mass spectrometry, a sample pretreatment process of the GH4169 high-temperature alloy is optimized, a double-plasma O2 + ion source and a low-energy electron gun charge compensation system of a time-of-flight secondary ion mass spectrometer are innovatively configured, deep analysis and a three-dimensional reconstruction algorithm are combined, and the trace elements in the GH4169 high-temperature alloy are detected. The sensitivity, the spatial resolution and the data reliability of trace element detection are obviously improved.
Owner:CHINA IRON & STEEL RESEARCH INSTITUTE GROUP CO LTD +2

Ai system and method to predict ovarian cancer propensity based on metabolic fingerprints in blood samples

An exemplary machine learning-based system and method are disclosed for a clinical tool that can provide a comprehensive prediction of ovarian cancer propensity using metabolite and metabolomic profiles acquired from ultra-performance liquid chromatography, high-resolution mass spectrometry (UPLC-MS) analysis. Each serum sample may be independently processed through two different columns (HILIC and C18 reversed phase). Different ionization modes (negative and positive) may be used. The clinical tool can validated to provide successful prediction of ovarian cancer by over 90%. Ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS / MS) and the like can be used.
Owner:GEORGIA TECH RES CORP

Three-dimensional laser post-ionization-secondary neutron particle mass spectrometer

The invention discloses a three-dimensional laser post-ionization-secondary neutron particle mass spectrometer which comprises a vacuum pool, a sample introduction system, a primary ion emission system, a three-dimensional laser post-ionization system, an ion optical system, a time-of-flight mass spectrometer, an observation system and a computer control system. By adjusting the wavelength, the frequency and the energy value of the laser, resonance between the energy of laser photons and the electron energy level of target molecules can be realized to realize selective ionization of substances, and the method has extremely high element, nuclide and molecule selectivity, can provide the sensitivity of an instrument, and can be used for mass spectrometry. The device can be applied to single-cell imaging analysis test of lipid, metabolites, small-molecule drugs and part of elements with the molecular weight smaller than 1000 Da, the problems of space metabolome small-molecule metabolite test and ultrahigh spatial resolution imaging are solved, and the device can be independently used as an SIMS when laser post-ionization is not used.
Owner:SHANGHAICHEMLABINSTRUMENTCO LTD

Pesticide residue detection system for agricultural products

The invention relates to the technical field of pesticide detection, and discloses a pesticide residue detection system for agricultural products, comprising: a high-precision detection module comprising one or more detection units adopting a high performance liquid chromatography-mass spectrometry (HPLC-MS / MS) technology, each detection unit being configured with a detection limit of not less than 1 ng / g, the resolution ratio is not lower than 0.01 ppm, and the quantitative analysis precision is high. And the intelligent data analysis software integrates a pesticide residue data analysis engine based on an artificial intelligence (AI) algorithm, and quickly and accurately judges the types and residual quantity of pesticides. And the standardized data interface and sharing platform is designed with a unified data exchange format and an interface standard. By adopting a high-precision detection module and combining a high performance liquid chromatography-mass spectrometry (HPLC-MS / MS) technology, the system realizes multi-channel parallel processing and high-sensitivity detection, ensures the accuracy of a detection result, effectively solves the problem that the detection technology and the equipment level are uneven, and improves the overall detection level.
Owner:KUNMING JIEBEI TECHNOLOGY CO LTD

High-resolution mass spectrometric detection method for chromatography co-outflow of 2, 4-dimethylphenol and 2, 6-dimethylphenol and application of high-resolution mass spectrometric detection method for chromatography co-outflow of 2, 4-dimethylphenol and 2, 6-dimethylphenol

The invention discloses a high-resolution mass spectrometry detection method for chromatography co-outflow of 2, 4-dimethylphenol and 2, 6-dimethylphenol and application, and relates to the technical field of environmental detection.The method comprises the steps that according to the petroleum content range in a sample, a corresponding sample pretreatment process is selected to prepare a sample; the method comprises the following steps: under an acetonitrile-5-8.0 mmol / L ammonia water mobile phase system, detecting and collecting primary mass spectrum full scanning (MS1) and selective ion secondary mass spectrum (MS2) data of a standard sequence sample, a conversion factor calibration sample and a sample by utilizing LC-HRMS (Liquid Chromatography-High Resolution Mass Spectrometry); according to MS1 data, standard concentrations of co-effluent components 2, 4-dimethylphenol and 2, 6-dimethylphenol and concentrations of other 11 phenols and alkyl substituted phenols are calculated; according to the MS2 data, the concentration of 2, 4-dimethylphenol is calculated; and according to the MS1 data, calculating a conversion factor of the co-effluent component, and further calculating the concentration of 2, 6-dimethylphenol. The detection limit of the method is lower than 1.0 microgram / L, and the sensitivity of the method is 1-2 orders of magnitude higher than that of a standard HJ744-2015 (derivatization-GC-MS method) phenolic compound testing method.
Owner:CHINA NAT PETROLEUM CORP +1

Polyketone compound, preparation method and application

The invention belongs to the field of microbial natural product pesticides, and particularly discloses a polyketone compound as well as a preparation method and application thereof. The compound disclosed by the invention is prepared from a fermentation crude extract of a strain of tobacco endophytic fungus Aspergillus japonicus TE-739D, and the compound disclosed by the invention is prepared from the fermentation crude extract of the tobacco endophytic fungus Aspergillus japonicus TE-739D. The chemical structure of the compound is identified through a modern spectroscopy technology, such as a high resolution mass spectrum HRESIMS and a superconducting nuclear magnetic resonance spectrum NMR, and the compound is named as japonidiene C. The invention further discloses a preparation method of the compound. The polyketone compound japondiene C has an obvious insecticidal activity on 2-instar larvae of spodoptera frugiperda, and can be used for preventing and treating the second instar larvae of the spodoptera frugiperda.
Owner:TOBACCO RESEARCH INSTITUTE OF CHINESE ACADEMY OF AGRICULTURAL SCIENCES (QINGZHOU TOBACCO RESEARCH INSTITUTE OF CHINA NATIONAL TOBACCO COMPANY)

High-throughput preparation mass spectrum device and method giving consideration to high-resolution characterization

The invention relates to the technical field of ion characterization and preparation, in particular to a high-throughput preparation mass spectrum device and method giving consideration to high-resolution characterization. The device comprises an ion source, an ion transmission cavity, a quadrupole mass screening cavity, an ion dissociation cavity, an ion deflection cavity, an ion deceleration and deposition cavity and a high-resolution mass spectrum characterization cavity which are sequentially arranged, wherein the high-resolution mass spectrum characterization cavity is formed in one side of the ion deflection cavity in the vertical direction; soft ionization is combined with a quadrupole analyzer to screen ions, the ions are dissociated through a dissociation cavity, an ion deflection cavity is used for selecting a high-resolution characterization or high-throughput preparation function, a high-resolution mass spectrum characterization cavity is used for achieving high-resolution characterization of screened and fragmented ions, and an ion deceleration and deposition cavity is used for high-throughput preparation of the ions. According to the method, perfect compatibility of high-throughput preparation and high-resolution mass spectrum characterization is realized through ion deflection design, and the method has a wide application prospect in the fields of efficient preparation of biological macromolecules, synthetic macromolecules and the like and the like.
Owner:DALIAN INSTITUTE OF CHEMICAL PHYSICS CHINESE ACADEMY OF SCIENCES

Composite ion source device for coupling atmospheric pressure interface orbitrap mass spectrometry

The invention discloses a composite ion source device for coupling atmospheric pressure interface orbitrap mass spectrometry, which belongs to the field of mass spectrometry detection and comprises a photo ionization / photo-induced association ionization ionization and ion transmission mechanism, a gas sample introduction mechanism, a high-flux radio frequency vacuum ultraviolet light source mechanism and an ion source and mass spectrometry interface mechanism. By adopting the composite ion source device for coupling the atmospheric pressure interface orbitrap mass spectrum, organic components with different polarities, ionization energy and ion affinity in a complex mixture can be efficiently ionized, and through reasonable structural design, the organic components are coupled with the high-resolution orbitrap mass spectrum with the atmospheric pressure interface, so that the high-resolution orbitrap mass spectrum is obtained. The detection range of complex organic components is widened, and the resolution capability and the detection sensitivity of low-abundance or high-molecular-weight organic components are improved.
Owner:UNIV OF CHINESE ACAD OF SCI

Organic aerosol source analysis method and system based on online observation of organic molecular marker

PendingCN119198937AComponent separationResolution (mass spectrometry)Gas chromatography–mass spectrometry
The invention belongs to the technical field of air quality management, and discloses an organic aerosol source analysis method based on online observation of an organic molecular marker. According to the method for realizing high-time-resolution on-line real-time observation and measurement of the concentration of the organic aerosol molecular marker, on the basis of original PM2.5 conventional component concentration data, concentration data of the organic aerosol organic molecular marker, which has high recognition degree and is obtained based on high-time-resolution on-line real-time observation, is added. According to the method, accurate identification and scientific and quantitative source analysis of the source of the atmospheric organic aerosol can be realized, a more scientific, accurate and rich quantitative source analysis result is obtained, more scientific and accurate prevention and control suggestions are provided for atmospheric environment quality management, and important scientific and technological support is provided for atmospheric environment quality management of government departments.
Owner:SHANGHAI UNIV

Tissue high-resolution mass spectrum imaging technology based on light-driven expansion hydrogel

The invention provides a tissue high-resolution mass spectrum imaging technology based on light-driven expansion hydrogel, and belongs to the field of mass spectrum imaging. The technology comprises preparation of light-driven hydrogel, preparation of a light-driven gelation biological sample, digestion and expansion of the gelation biological sample and mass spectrum imaging of the expanded gelation biological sample. The gelation process of the light-driven expansion hydrogel is not inhibited by oxygen, the gelation time is short (only 3 minutes), the gel thickness can be controlled by controlling the addition amount of a gel monomer solution, and the adaptability to a mass spectrum imaging technology is higher; according to the method, 6 times of linear expansion of the hydrogel is successfully realized, and spatial distribution characterization of lipid in liver lobules is realized under the spatial resolution of 100 microns. The method is low in cost and simple and convenient to operate, and has a wide application prospect in popularization of a high-resolution mass spectrum imaging technology at a biological tissue molecule level.
Owner:JIANGNAN UNIV

High-throughput screening method for broad-spectrum new pollutants

The invention discloses a high-throughput screening method for broad-spectrum new pollutants, which comprises the following steps: pre-treating a sample to be detected by using a mixed extracting agent of methanol and dichloromethane and an HLB solid-phase extraction small column, extracting the broad-spectrum new pollutants, and detecting the broad-spectrum new pollutants by using an ultra-high performance liquid chromatography-high resolution mass spectrometry technology. And carrying out data acquisition on the extracting solution in a full-scanning and full-ion fragmentation scanning mode. And then, the collected high-resolution mass spectrum data is compared with a self-established suspected target screening database containing N pollutants, and the data is integrated and analyzed according to a set screening and filtering standard, so that efficient and rapid matching and identification of the N pollutants in the sample are realized. According to the detection method, the to-be-detected sample can still be rapidly screened in the suspected target screening database under the condition that no standard substance exists, the detection speed and efficiency are remarkably improved, and meanwhile the detection cost is reduced.
Owner:RES CENT FOR ECO ENVIRONMENTAL SCI THE CHINESE ACAD OF SCI +1

Organic mass spectrometry method for detecting tumor biomarkers

The invention relates to the technical field of mass spectrometric detection and analysis, and particularly discloses an organic mass spectrometric analysis method for detecting tumor biomarkers, which comprises the following steps: S1, synthesizing gold nanoparticles; s2, sequentially assembling a CEA detection antibody modified by a connecting arm and a mass spectrum tag molecule on the surface of a gold nanoparticle through an Au-S bond to obtain a mass spectrum probe; s3, preparing the modified magnetic beads; s4, taking the modified magnetic beads as capture units, and adding a to-be-detected sample and a mass spectrum probe for immunoreaction; then the gold nanoparticles are released from the immune complex, and supernate is collected; and S5, detecting the supernate in a high-resolution mass spectrum to obtain the concentration of the antigen in the sample to be detected. When the mass spectrum tag molecule is used for organic mass spectrum analysis and tumor biomarkers are detected, a plurality of antibodies can be marked at the same time, so that simultaneous detection of multiple targets is realized; and the method has good sensitivity and detection stability.
Owner:成都翼泰生物科技有限公司 +1

Time-of-flight mass spectrometry electric field structure design parameter optimization method

The invention discloses a flight time mass spectrum electric field structure design parameter optimization method. According to the method, the rapid convergence capability of a particle swarm optimization algorithm and the global jump capability of a simulated annealing algorithm are fused, and the global search capability and stability of optimization in a high-dimensional parameter space are remarkably improved by introducing a dynamic disturbance mechanism and a temperature control function. The method is particularly suitable for parameter optimization of electric field structures such as a reflector region and a multi-section acceleration region in a reflective TOF mass spectrometer, and aims at maximizing mass spectrum resolution or minimizing flight time broadening.
Owner:SHANGHAI JIAOTONG UNIV

Identifying and quantifying probable principal IONS in ion-mobility domain of mass spectrometry data

Various embodiments herein disclose machine learning-based extraction and quantification of mass spectrometry data This data may be collected using high-resolution mass spectrometry (HR-MS) instruments. Also, reference to the deep learning-based identifying and quantifying peak properties of mass spectrometry data in drift time domain, as may be understood by a person skilled in the art or otherwise as described herein. Quantifying the properties of the peaks in the mass spectrometry data in the Drift time domain is provided. The properties of the peak may comprise of the m / z value associated with the peak, the retention time value associated with the peak, the drift time value associated with the peak, collision cross-section (CCS) value of peak using Mason-Schamp equation, the area under the peak, and the Signal to noise ratio (SNR) for the peak.
Owner:CLARITY BIO SYSTEMS INDIA PVT LTD +1

Single-cell metabonomics analysis method based on mass spectrum technology

The invention belongs to a mass spectrometry technology, and particularly provides a single cell metabonomics analysis method based on the mass spectrometry technology, which comprises the following steps: (A1) collecting population cell data including a plurality of average mass spectrograms of a plurality of population cells in a low-resolution mode and a high-resolution mode; (A2) constructing an SCSR-Unet super-division model by using the population cell data, and training, verifying and testing the model; a loss function CL is used in network construction; (A3) collecting single cell data, wherein the single cell data comprises an average mass spectrum of a plurality of single cells in a low-resolution mode and a high-resolution mode; and (A4) enabling the average mass spectrum data in the low-resolution mode to pass through an SCSR-Unet model to obtain high-resolution mass spectrum data of predicted absolute intensity, and synchronously preprocessing the high-resolution mass spectrum data and the mass spectrum data in the high-resolution mode for single-cell metabonomics analysis.
Owner:CHINA INNOVATION INSTR CO LTD

Quantitative detection method for tobacco components

The invention discloses a quantitative detection method for tobacco components. The quantitative detection method comprises the following steps: extracting a tobacco sample to obtain extract liquor; performing component analysis on the extracting solution by adopting high-resolution liquid chromatography-mass spectrometry to obtain a spectrogram of the tobacco sample; the high-resolution liquid chromatography mass spectrometry adopts two ion sources of an ESI source and an APCI source for detection, and the two ion sources both adopt reversed-phase chromatographic columns for detection; in detection, under the ESI source condition, positive and negative ion modes are adopted for scanning respectively, and under the APCI source condition, a positive ion mode is adopted for scanning. According to the quantitative detection method, two different ion sources are adopted, and high coverage and detection precision are both considered; corresponding chromatographic columns are adopted for liquid phase separation, separation of tobacco metabolism components with different properties in a complex natural tobacco matrix is facilitated, and the separation efficiency and the coverage degree are improved; by combining the ultrahigh resolution and high precision of the high-resolution liquid chromatography-mass spectrometry, the to-be-detected substance and the interfering substance are effectively distinguished, and the detection accuracy of various samples is improved.
Owner:CHINA TOBACCO HUNAN IND CORP

Method for detecting perfluorinated and polyfluoroalkyl compounds in plasma

The invention belongs to the field of plasma detection, and particularly relates to a method for detecting perfluoro and polyfluoroalkyl compounds in plasma. Comprising the following steps: extracting target perfluoro and polyfluoroalkyl compounds in plasma by adopting an ion pair extraction method: mixing the plasma with a buffer solution, adding a tetrabutylammonium hydrogen sulfate solution, uniformly mixing, adding an isotope labeling mixed solution as an internal standard, then adding methyl tert-butyl ether, centrifugally sucking supernate after vortex oscillation, repeatedly extracting, and collecting the target perfluoro and polyfluoroalkyl compounds in the plasma. Combining the supernate, blow-drying, and redissolving with a methanol solution to obtain a to-be-detected sample; detecting a to-be-detected sample through a liquid chromatography-quadrupole time-of-flight high-resolution mass spectrometry method; and analyzing the data to obtain the types and concentrations of the target perfluorinated and polyfluoroalkyl compounds. The method has the advantages of simplicity and convenience in sample treatment, short detection time, high resolution, high sensitivity and the like, and the concentration of trace PFASs in plasma can be efficiently, accurately and quantitatively analyzed.
Owner:CANCER HOSPITAL AFFILIATED TO GUANGXI MEDICAL UNIV

Analgesic compound having nav1.2 inhibitory effect in radix anacycli pyrethri, and preparation and use thereof

PCT designated stage expiredWO2025044036A1Organic chemistryAntipyreticResolution (mass spectrometry)Anacyclus pyrethrum
The present invention relates to a method for preparing a highly conjugated tetraamino 6 / 6 / 6 / 5 / 7 / 5 octacyclic alkaloid compound having a unique 8,14,18,24-tetraazaoctacyclic [21.2.21,4.1.02,21.03,18.05,17.09,16.011,15] nonacosane ring system, and the anti-inflammatory and analgesic use of the compound. With regard to the tetraamino 6 / 6 / 6 / 5 / 7 / 5 octacyclic alkaloid compound, the root of Anacyclus pyrethrum (L.) DC is extracted using an organic solvent, the resulting extract is extracted, separation is then performed by means of two to three methods of normal-phase silica-gel column chromatography, reversed-phase silica-gel column chromatography and semi-preparative high-performance liquid chromatography to obtain four tetraamino 6 / 6 / 6 / 5 / 7 / 5 octacyclic alkaloid monomer compounds having a new skeleton, and the structures of the compounds are identified by means of methods such as high-resolution mass spectrometry, and nuclear magnetic resonance spectroscopy. Further provided in the present invention are the Nav1.2 inhibitory effect and NO inhibitory effect of the compounds.
Owner:XINJIANG TECH INST OF PHYSICS & CHEM CHINESE ACAD OF SCI

ICP-MS (Inductively Coupled Plasma Mass Spectrometry) detection method for phosphorus element in trichlorosilane

The invention discloses an ICP-MS (Inductively Coupled Plasma Mass Spectrometry) detection method for phosphorus in trichlorosilane, and belongs to the field of analysis of high-purity electronic chemicals. According to the invention, a low-temperature matrix digestion technology is adopted to quantitatively form a SiFcomplex and inhibit silicon volatilization loss; according to the matrix matching calibration system, a calibration curve is constructed by adopting a weighted least square method, so that matrix interference is effectively corrected; a detection technology screening strategy is carried out by combining a cascade strategy of high-resolution inductively coupled plasma mass spectrometry, so that the interference of a complex matrix is successfully avoided. Experiments show that when the method is used for detecting phosphorus, the linear correlation coefficient R is greater than 0.999, the detection limit is as low as 0.02 ng / g, and the method accords with ISO 17025 and semiconductor-grade material quality control standards, and is suitable for accurate quantitative analysis of ng / g-grade phosphorus elements in high-purity trichlorosilane.
Owner:QUZHOU RES INST OF ZHEJIANG UNIV

Raman-LIBS-mass spectrum combined analysis device and analysis method

The invention belongs to the technical field of chemical detection, and particularly relates to a Raman-LIBS-mass spectrometry combined analysis device and analysis method.The Raman-LIBS-mass spectrometry combined analysis device comprises a multiple reflection time-of-flight mass spectrometer, an LIBS spectrometer, a Raman spectrometer and a common module; the common module comprises a first incident light path system, a second incident light path system, a high-definition observation system, a vacuum sample bin, a vacuum system and a control system; the first incident light path system is used for generating a femtosecond laser beam and performing three-dimensional denudation on a sample; and the second incident light path system is used for combining the tunable laser into a resonant ionization light path. Compared with the prior art, in-situ micro-area ultrahigh-resolution element and isotope analysis and imaging can be achieved, ultra-trace element and isotope analysis and isotope ratio analysis under strong matrix interference are achieved, and meanwhile high-resolution molecular structure and composition analysis and Raman scattering imaging can be conducted.
Owner:SHANGHAICHEMLABINSTRUMENTCO LTD

Tissue slice high-resolution mass spectrum imaging method based on multi-modal data fusion

The invention discloses a tissue slice high-resolution mass spectrum imaging method and system based on multi-modal data fusion, and belongs to the technical field of mass spectrum imaging and biomedical detection. The method comprises the steps of multi-modal data acquisition, data preprocessing, feature extraction, multi-modal data fusion and high-resolution imaging reconstruction. High-resolution mass spectrum data and high-stability auxiliary modal data are synchronously collected, after preprocessing and feature extraction, feature weights are dynamically distributed and fused by using a fusion model based on an attention mechanism, and then a high-resolution and high-sensitivity imaging result is output through an imaging reconstruction model of a U-Net improved architecture. On the premise that the spatial resolution is not reduced and the sample is not damaged, the mass spectrum signal intensity is effectively enhanced, the low-abundance biomarker recognition capability is improved, the imaging efficiency is high, the adaptability is high, and the method is suitable for biomedical research and clinical diagnosis scenes.
Owner:INST OF ZOOLOGY CHINESE ACAD OF SCI