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

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.

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.

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.

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.

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.

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.

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.

The application 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, a LIBS spectrometer, a Raman spectrometer and a shared module. The shared 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 ablation on a sample. The second incident light path system is used for combining tunable lasers into a resonance ionization light path. Compared with the prior art, the application can realize in-situ micro-area ultra-high resolution element and isotope analysis and imaging, realize ultra-trace element, isotope analysis and isotope ratio analysis under strong matrix interference, and can also perform high-resolution molecular structure and composition analysis and Raman scattering imaging.

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 invention relates to the technical field of mass spectrometers, in particular to an intelligent function optimization method for an inductively coupled plasma mass spectrometer, which comprises the following steps: S1, multi-parameter real-time monitoring: acquiring plasma torch temperature, ion lens voltage and mass spectrum detector noise parameters in real time through an embedded sensor array; s2, intelligent control adjustment: dynamically adjusting the power of a radio frequency generator and the carrier gas flow by adopting a self-adaptive fuzzy PID controller; s3, stability prediction modeling: establishing a plasma stability prediction model based on a deep belief network DBN, and outputting optimization parameters according to real-time acquired data; s4, virtual verification optimization: simulating the influence of parameter adjustment on mass spectrum resolution through a digital twin system; through multi-sensor monitoring, self-adaptive control and digital twinborn verification, the analysis precision and stability are remarkably improved, the matrix interference problem is effectively solved through the intelligent pretreatment technology, reliable operation of equipment is guaranteed through a three-level emergency mechanism, and manual intervention and maintenance cost are greatly reduced.

The application discloses a chromatographic co-elution dimethyl phenol isomer high-resolution mass spectrometry characterization method and application, and the method comprises the following steps: according to the petroleum content range in a sample, selecting a corresponding sample pretreatment process to prepare a sample; under a methanol-5.0-6.5 mmol / L ammonia water mobile phase system, using LC-HRMS to detect a standard sequence sample, a conversion factor calibration sample and the sample, collecting primary mass spectrometry (MS 1 ) and selected ion secondary mass spectrometry (MS 2 ) data; according to MS 1 data, calculating the first normalized concentration of co-eluted 3,5-dimethyl phenol and 2,6-dimethyl phenol, and the first conversion factor of 2,6-dimethyl phenol to 3,5-dimethyl phenol; and the concentration of other 11 kinds of phenols and alkyl-substituted phenols; according to MS 2 data, calculating the second normalized concentration and the second conversion factor of the co-eluted components, and then calculating the concentration of 3,5-dimethyl phenol and 2,6-dimethyl phenol. The application realizes quantitative characterization of 13 kinds of C0-C2-alkyl-substituted phenol single components.

The disclosure relates to methods of detecting Host Cell Proteins (HCPs) in biopharmaceutical samples containing a drug product. More specifically, the disclosure relates to methods of assaying HCPs in biopharmaceutical samples using enzymatic digestion protocols, liquid chromatography (LC) gradients, immunoaffinity capture protocols, and High-Resolution Mass Spectrometry (HRMS) to enhance the recovery, detection, and profiling of HCPs, which can impact the efficacy, shelf-life, and therapeutic response of drug products.

The invention belongs to the technical field of chemical screening, and particularly relates to a systematic screening method for rubber-related chemicals in a plasma sample, which comprises the following steps: S1, taking the plasma sample, adding a mixed extraction solvent, extracting, centrifugally layering, collecting supernate, repeatedly extracting, merging the supernate, concentrating, and freezing to obtain a rubber-related chemical sample; centrifuging again, adding an isotope internal standard, and carrying out data dependence acquisition in a positive and negative ion analysis mode by adopting liquid chromatography-tandem high-resolution mass spectrometry. According to the invention, the comprehensive coverage type monitoring of 1300-1500 RDCs in the plasma sample is realized. By means of combination of a positive and negative ion double analysis mode and data dependence acquisition, the detection range and the signal response stability of the RDCs with different polarities are effectively considered, and the technical problem that in the prior art, the composite effect generated by coexistence of multiple RDCs is ignored is solved.

The invention discloses a method for analyzing and identifying chemical components of Mingzhi astragalus decoction based on high-resolution mass spectrometry, and relates to the technical field of traditional Chinese medicine compound analysis. The method comprises the following steps: preparing a Mingzhi Radix Astragali decoction test solution; the method comprises the following steps: respectively acquiring mass spectrum data in positive and negative ion modes under specific chromatography and mass spectrum conditions by adopting an ultra-high performance liquid chromatography-time-of-flight mass spectrometry technology; and comparing the obtained data with a pre-constructed specific chemical component database of the Mingzhi Astragalus decoction, and realizing systematic identification of the chemical components in the compound and medicinal material attribution according to a principle that an accurate mass number error is in a range of + / -3 ppm. The method provided by the invention efficiently, accurately and successfully identifies 53 chemical components in the Mingzhi radix astragali decoction and clarifies the source medicinal materials of the 53 chemical components, and provides a reliable technical scheme for comprehensively illuminating the basis of the compound substance, quality control and subsequent research.

The present invention provides an ion detector that can suppress variations in ion detection time for ions with the same mass-to-charge ratio, and a mass spectrometer that can improve the resolution of mass spectrometry. [Solution] The ion detector 1A includes a conversion unit 2A that emits electrons e to the other side of direction D when ions i are incident from one side in direction D, and an output unit 3 that outputs an electrical signal in response to the incidence of electrons e emitted from the conversion unit 2A. The conversion unit 2A includes a support having a support surface perpendicular to direction D, and an electron generation layer disposed on the support surface that generates electrons e in response to the incidence of ions i. The support has a plurality of passages through which ions i or electrons e pass. The plurality of passages are arranged two-dimensionally along the support surface.

The invention provides an ion measurement device with high-resolution mass spectrum detection and charge state measurement functions, and the device comprises a deflection system which is used for introducing solar wind ions into a geometric factor control system; the geometric factor control system is used for introducing the solar wind ions into the hemispherical electrostatic analyzer and adjusting the flux measurement range by adjusting the voltage; the electrostatic analyzer is used for performing energy analysis on the solar wind ions through voltage; the flight time system is used for recording an initial charge signal and a termination charge signal of ion flight and measuring ion deposition energy; the pre-amplification system multiplies and amplifies weak signals of ions and electrons, identifies and processes the signals and outputs digital signals; and the electronic processing unit is used for processing a signal output by the pre-amplification system, obtaining information of components, charge states, directions, energy and flux of solar wind ions, and providing multiple paths of high voltage required by the device. The device has the advantage that mass spectrum detection and charge state measurement are simultaneously realized on one device.

The invention belongs to the field of traditional Chinese medicine chemistry and natural product separation, and particularly relates to extraction and separation of a novel triterpenoid compound 25-Etherxy-dammar-20 (22) Z-ene-3beta, 6alpha, 12beta-triol and application of the novel triterpenoid compound 25-Etherxy-dammar-20 (22) Z-ene-3beta, 6alpha, 12beta-triol in myocardial protection drugs. The compound is named as 25-Etherxy-dammar-20 (22) Z-ene-3beta, 6alpha, 12beta-triol, and the structural formula of the compound is shown in the description. The invention provides an extraction and separation method of the compound. The extraction and separation method mainly comprises the following steps: sequentially carrying out solvent extraction, macroporous adsorption resin enrichment, silica gel column chromatography, ODS medium-pressure column chromatography, high performance liquid chromatography separation and purification and the like on ginseng and other traditional Chinese medicine processed products and hydrolysates. The structure of the compound is determined through comprehensive analysis of a high-resolution mass spectrum (HRMS), one-dimensional nuclear magnetic resonance (1H NMR, 13C NMR) and a two-dimensional nuclear magnetic resonance spectrum (such as HSQC, HMBC, ROESY and the like), and the compound is a newly discovered dammarane type triterpene compound. Experiments show that the compound and the composition thereof have a remarkable protection effect on myocardial cell hypoxia / reoxygenation reperfusion injury, and can be used for preparing drugs for preventing or treating myocardial ischemia reperfusion injury and other related diseases.

The invention relates to a method for detecting alkaloid compounds based on UPLC-MSMS (ultra performance liquid chromatography-mass spectrometry) and application. The method comprises the following steps: after a sample is extracted, detecting a sample extracting solution and a standard solution by adopting an ultra performance liquid chromatography-mass spectrometry combined method; a mobile phase adopted by the ultra-high performance liquid chromatography is as follows: a mobile phase A is an aqueous solution containing 0.1% of formic acid; the mobile phase B is an acetonitrile solution containing 0.1% of formic acid. According to the method disclosed by the invention, after the extracted tissue sample is subjected to liquid chromatography separation, the alkaloid metabolites are qualitatively and quantitatively detected in a targeted manner, and due to the high selectivity of the high-resolution mass spectrum, parameter optimization does not need to be performed on each metabolite.

The invention belongs to the field of biological medicine, and particularly relates to an anti-inflammatory and anti-helicobacter pylori compound separated from agilawood and a preparation method thereof. The method comprises the following steps: by taking the agilawood corasta as a raw material, carrying out reflux extraction with ethanol, extracting with petroleum ether to remove volatile components, separating and purifying by adopting various chromatographic technologies such as silica gel column chromatography, reversed-phase column chromatography and semi-preparative HPLC (High Performance Liquid Chromatography) to obtain a monomeric compound, and identifying the structure of the monomeric compound by adopting spectroscopy methods such as ultraviolet, high-resolution mass spectrometry and nuclear magnetic resonance. The structure of a compound 1 is identified as a new 2-(2-phenethyl) chromone dimer, and the compound 1 is named as aquicrasone V. The invention further discloses a preparation method of the compound 1. A biological activity test verifies that the compound has relatively strong anti-inflammatory activity and anti-helicobacter pylori activity.

The invention relates to the technical field of floridoside and an isomer monomer thereof, and discloses a method for preparing high-purity floridoside and an isomer monomer thereof on a large scale, which is used for carrying out large-scale preparation and purification research on the high-purity floridoside and the isomer monomer thereof and preparing the floridoside and the isomer monomer thereof from a porphyra haitanensis crude extract. And the structure and purity of the compound are identified. The method comprises the following steps: firstly, by utilizing a DART-MS technology, through a single factor experiment, optimizing experiment parameters such as extraction times and elution, and obtaining optimal extraction efficiency; and secondly, based on a two-step purification method of a prep-HPLC (Prep-High Performance Liquid Chromatography) technology, enriching the target compound by using a reversed-phase (C18) mode stationary phase in the first step, and separating the pair of isomers by using a normal-phase (NH3) mode stationary phase in the second step. The obtained floridoside and isomer monomers thereof are subjected to structure and purity identification by mass spectrometry (MS) and nuclear magnetism (NMR). Results are as follows: the two compounds are identified as floridoside and isomers thereof through high-resolution mass spectrometry, and the purities of the floridoside and the isomers thereof are up to 99.5% or above.

The invention discloses a method for detecting polypeptide sequence difference and post-translational modification thereof based on a nanopore system, the nanopore system is constructed in the method, and the nanopore system comprises an alpha-hemolysin nanopore and octa-amino modified gamma-cyclodextrin embedded in the nanopore; the amino acid sequence of the alpha-hemolysin nanopore comprises mutation sites M113R and T145R, and the alpha-hemolysin nanopore is characterized in that the alpha-hemolysin nanopore According to the detection method, polypeptide with negative charges enters a nanopore under the driving of external voltage, an ion current blocking signal is recorded, and the polypeptide sequence difference and post-translational modification are analyzed according to blocking amplitude, duration, noise characteristics and event frequency. The method can detect a peptide chain with the length of 2-10 amino acid residues, can distinguish the post-translational modification state in homopolypeptide composed of 4-10 amino acids and polypeptide by single amino acid resolution, and can be used for protein enzyme digestion product analysis, oligopeptide drug detection and rapid polypeptide identification under the condition of no mass spectrum.

The application belongs to the field of biological analysis, and provides a method for precise metabolic flow analysis of TCA cycle based on isotope tracing technology combined with high-resolution mass spectrometry. By optimizing mass spectrometry parameters and liquid chromatography method, one injection within 6 min is realized, and high-throughput, high-sensitivity and high-resolution detection is realized on 11 biomarkers related to TCA cycle metabolic pathways. At the same time, the application innovatively uses LC-MS / MS to decipher 13 C the stepwise position-specific transfer from glucose to subsequent metabolites by glycolysis and TCA cycle, thereby calculating 13 C the integrated steady-state analysis of key metabolic rates of position-specific transfer from sequential precursors to their products (pyruvate dehydrogenase, beta-oxidation, pyruvate carboxylase, isocitrate dehydrogenase and pyruvate cycle). This technology has wide applicability and can potentially characterize mitochondrial metabolism of any tissue or cell.

This invention discloses a method for determining the content and simultaneously identifying the source of polyglutamic acid (PCA) in fertilizers based on microwave digestion-high-resolution liquid chromatography-mass spectrometry (LC-MS), belonging to the field of analytical detection technology. The method includes: microwave-assisted acid hydrolysis of fertilizer samples to obtain a hydrolysate; injecting the hydrolysate into a liquid chromatography-high-resolution mass spectrometry (LC-MS) instrument, performing a single injection analysis in data-independent acquisition (DIA) mode, and simultaneously acquiring a mass spectrometry dataset containing a full-scan fingerprint of the parent ion and fragment information of the daughter ion by alternating between low and high collision energies; extracting the precise mass number of PCA from the dataset for accurate quantification, and calculating the PCA content using the difference method; simultaneously retrieving the total ion chromatogram and inferring the source of PCA based on the response of other amino acids. This invention is the first to introduce microwave digestion pretreatment and high-resolution mass spectrometry DIA acquisition mode into the field of PCA detection in fertilizers, requiring only a single injection to simultaneously complete accurate quantification and source identification, effectively avoiding false positives caused by background of plant and animal protein hydrolysates, and significantly improving the efficiency and confidence of PCA detection in complex matrix fertilizers.

The invention belongs to the technical field of reliability analysis of devices, and particularly relates to a quantitative analysis method for migration characteristics of an indium component in an epitaxial wafer. Comprising the following steps: providing epitaxial wafers with consistent initial characteristics, and carrying out uniform cleavage; taking one small block as a reference sample, and performing external disturbance treatment on other small blocks; the method comprises the following steps: respectively carrying out non-destructive structure characterization treatment on a reference sample and a sample subjected to external disturbance treatment, including high-resolution X-ray diffraction test, photoluminescence and cathode fluorescence combined test and time-resolved photoluminescence spectrum measurement; comprising high-resolution transmission electron microscope and EDS energy spectrum combined imaging and secondary ion mass spectrum; finally, FP lasers are prepared respectively, and electrical characterization processing is carried out. And quantitatively analyzing the influence of indium component migration on the electrical properties of the FP laser according to the result. The method has the advantages that the migration of indium atoms is analyzed according to a method for changing the microstructure in the quantum well and changing the dynamic behavior of a carrier.

The invention provides a blood concentration prediction model based on artificial intelligence and a construction method and application thereof.A whole blood sample of a patient taking sirolimus is collected, the blood concentration is detected through liquid chromatography tandem mass spectrometry, CYP 3A4 / 5, CYP 2C8 and P-gp gene polymorphism is detected in combination with a high-resolution dissolution curve technology, and the blood concentration prediction model based on artificial intelligence is obtained. And constructing a database containing the multi-dimensional data. And training the database by using an extreme gradient lifting algorithm, establishing a high-precision sirolimus blood concentration artificial intelligence prediction model, and developing a mobile equipment end application to realize remote data acquisition and result display. The model is especially suitable for children with Carboxi-like vascular endothelioma, can dynamically monitor the blood concentration in real time, provides refined guidance for clinical treatment, reduces the treatment cost, and improves the treatment effect and safety.

The present invention discloses a non-target analysis method for data-independent acquisition of mass spectrometry characteristic fragments, which belongs to the technical field of non-target identification of compounds. The method of the present invention obtains high-resolution mass spectrometry data through a data-independent acquisition mode, converts the data into a universal format, extracts a chromatogram of characteristic fragment ions in the secondary mass spectrometry data, and obtains the retention time and peak width information of the characteristic fragment ions. The mass-to-charge ratio of each precursor ion in the primary mass spectrometry data and its corresponding intensity information are extracted within the retention time period of the characteristic fragment ion chromatogram, the similarity between the precursor ion and the characteristic fragment ion intensity is calculated, the precursor ion information corresponding to the characteristic fragment ion is judged by the similarity coefficient and the retention time deviation, and then the molecular formula of the compound is inferred to achieve non-target analysis of the compound. Compared with the traditional manual peak comparison method, the present invention can perform rapid and accurate non-target screening of compounds containing characteristic fragment ions.

The invention relates to a method for determining 15N isotope abundance of ammonium salt by using a high-resolution liquid chromatograph-mass spectrometer, which comprises the following steps: converting 15N-labeled ammonium nitrogen in a 15N-labeled ammonium salt sample into a 15N-labeled organic matter by using a derivatization reagent, and detecting the 15N in-situ abundance by using the high-resolution liquid chromatograph-mass spectrometer. Compared with the prior art, the method can be used for in-situ abundance detection of the 15N labeled ammonium salt inorganic sample, and has the advantages of simplicity, convenience, high applicability, accuracy and the like.

The invention relates to a method for evaluating the stability of heavy oil based on composition distribution of hydrocarbon, which comprises the following steps: detecting composition distribution data of hydrocarbon in a heavy oil sample by adopting high-resolution mass spectrometry equipment, and calculating the instability index of the heavy oil sample according to a specific formula. The sample amount and the solvent amount used for analysis are small, the test process is short in time consumption, the evaluation result is accurate, the reproducibility is good, and the discrimination degree is high; the method is especially suitable for analysis requirements of heavy oil stability in processes of heavy crude oil on-site modification, asphaltene deposition research, heavy oil separation and component refining, heavy ship fuel component blending, inferior residual oil fixed bed hydrogenation, slurry bed hydrogenation, fluidized bed hydrogenation and the like.

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.

According to the multi-attribute mass spectrometry analysis method of the antibody, deep pre-characterization analysis is carried out on the antibody through MAM based on high-resolution mass spectrometry, and the main mass attribute of the antibody is successfully obtained. The pre-characterization information is then used for MAM development based on a single quadrupole. According to the method, various product quality attributes are effectively monitored in single analysis, and the accuracy of the method is confirmed through a method based on high-resolution mass spectrometry. And then strict methodological verification is carried out on the method. A verification result shows that the method has good specificity, linearity, accuracy, precision and the like. The MAM based on the single quadrupole not only effectively solves the problem of multi-attribute detection of the glycosylation site monoclonal antibody drug, but also shows certain method universality, and provides a new and simple technical scheme for quality control of different glycosylation site antibody drugs. The research result is expected to promote the improvement of related technical platforms and the updating of concepts, so that the overall capability of product development and quality control is enhanced.