69 results about "Orbitrap" patented technology

The invention discloses a qualitative and quantitative analysis method for autonomously identifying halogenated organic matters in a non-targeted manner, and belongs to the technical field of environmental analytical chemistry and water quality monitoring. The qualitative and quantitative analysis method of the halogenated organic matter comprises the following steps: adding an oxidizing agent or a disinfectant into an original water sample for complete oxidation or disinfection to obtain a water sample to be detected; detecting the water sample to be detected by using ultra-high performance liquid chromatography (UPLC)-Orbitrap mass spectrometry (MS), and detecting the original water sample which is not oxidized or disinfected at the same time to obtain two groups of liquid mass data; performing automatic data processing and contrastive analysis on the two groups of liquid quality data by using Compressed Discovery software, and identifying to obtain a newly generated halogenated organic matter; and establishing a calibration curve by using a total ion chromatogram and an external standard method, and carrying out quantitative analysis on the identified halogenated organic matter. According to the method, the purposes of efficient screening and accurate quantification of the non-targeted halogenated organic matter in the complex water body matrix are achieved, accurate quantification is conducted in combination with an external standard method, and rapid data analysis and result output are achieved.

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.

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 relates to a liquid chromatography-mass spectrometry high-throughput detection method for stimulants in Chinese patent medicines, and belongs to the technical field of stimulant detection. The detection method comprises the following steps: respectively adding an internal standard solution and acetonitrile into a medicine to be detected, a negative control medicine and a positive control medicine; the method comprises the following steps: respectively carrying out ultrasonic extraction on a medicine to be detected, a negative control medicine and a positive control medicine, carrying out nitrogen blowing concentration on centrifuged supernate, adding a reconstitution fluid, and carrying out ultra-high performance liquid chromatography-electrostatic field orbitrap high-resolution mass spectrometry detection analysis, and comparing the analysis results of the to-be-detected drug, the negative control drug and the positive control drug, and determining the type of the stimulant in the to-be-detected drug. The method can realize simultaneous detection of 311 stimulants in various different Chinese patent medicine dosage forms, and effectively improves the detection efficiency, the recovery rate of to-be-detected substances and the sensitivity.

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 provides a rapid screening method for non-phthalate plasticizers in processed food. According to the rapid screening method, 36 non-phthalate plasticizers are detected by adopting gas chromatography-quadrupole rod / electrostatic field orbitrap high-resolution mass spectrometry. According to the method, efficient purification of the non-phthalate plasticizer in various typical processed foods such as wine, edible vegetable oil and infant formula milk powder can be realized by adopting a QuERChERS method, the pretreatment process is greatly simplified, and the detection efficiency is improved; a high-resolution mass spectrum full-scanning determination strategy is adopted in a breakthrough manner, so that the detection precision is improved, a reliable data basis is provided for subsequent traceability analysis, and the technical route is obviously different from a low-resolution mass spectrometry method which is generally adopted in the prior art; according to the method, high-throughput and high-sensitivity screening and confirmation under the condition of no standard substance are innovatively realized, the detection cost is remarkably reduced, and the practical value of the method is improved. Based on the screening confirmation strategy provided by the invention, the urgent requirements of food quality safety supervision and novel pollutant risk monitoring can be effectively met, and the method has good popularization and application prospects.

The invention discloses a high-throughput detection method for liquid crystal monomers in sediments, which comprises the following steps: extracting, enriching, purifying and removing impurities from the sediments, measuring by using a gas chromatograph-quadrupole rod-electrostatic field ion orbitrap combined high-resolution mass spectrometer, and analyzing to obtain the types and contents of the liquid crystal monomers in the sediments. According to the method, various liquid crystal monomers can be simultaneously and rapidly determined, impurity interference in a sample is effectively removed by utilizing extraction, enrichment and purification impurity removal, the chromatographic separation efficiency is improved, the anti-interference capability is improved by utilizing the extremely high resolution of the electrostatic field ion orbitrap high-resolution mass spectrum, the background interference is effectively reduced, and the detection accuracy is improved. Meanwhile, ultrasonic-assisted extraction and solid-phase extraction technologies are combined to purify a target object, so that the tedious steps of sample pretreatment are simplified, and the detection limit of the detection method is reduced.

The invention discloses a method for simultaneously determining 54 kinds of hair dyes in hair dye products by high-performance liquid chromatography-quadrupole / electrostatic field orbital trap high-resolution mass spectrometry, using 70% methanol ultrasonic extraction, 25% methanol (containing and excluding D-isoascorbic acid) solvent dilution sample, and matching the quantitative method of solvent mark line, improving the stability of hair dye and the accuracy of measurement results; by selecting chromatographic column and selecting ammonium fluoride solution-acetonitrile as mobile phase, the separation of all isomers is guaranteed, and the sensitivity of negative ion monitoring components such as phenol and hydroquinone is improved; by simultaneously scanning positive and negative ion modes and data-dependent secondary ion full scanning, 54 kinds of hair dyes are accurately determined and quantified. This method solves the problems of stability, separation and specificity, difficulty in filtration and membrane adsorption in the actual detection process of hair dye, makes up for the problem that the existing literature and standard hair dyes are not fully covered, and is of great significance to the quality control of hair dye products.

The invention discloses walnut polypeptide as well as a preparation method and application thereof, and belongs to the technical field of active peptides. The amino acid sequences of the walnut peptide from the N terminal to the C terminal are Val-Leu-Arg-Trp-Pro-Arg and Leu-Pro-Ser-Tyr, which are called as VLRWPR and LPSY for short. According to the method, the anti-inflammatory polypeptide is prepared through enzymolysis of walnuts, purification is carried out through ultrafiltration and a reversed-phase high performance liquid chromatography (RP-HPLC), the polypeptide sequence is identified through an ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometer (UPLC-Q-rbitrap-MS2), a peptide fragment with the score larger than 0.5 is selected through a Peptide Ranker database, anti-oxidation activity prediction is carried out through AnOxPePred, anti-inflammatory activity prediction is carried out through AIP Pred, and the anti-inflammatory activity of the anti-inflammatory polypeptide is determined. Polypeptides with high scores are artificially synthesized, the anti-inflammatory activity of the polypeptides is verified, and it is found that VLRWPR and LPSY have the anti-inflammatory activity and have different degrees of inhibition rates on the generation amounts of four inflammatory media (NO, TNF-alpha, IL-6 and COX-2).

The invention discloses a method for detecting various organophosphorus esters in a water body, belongs to the technical field of organophosphorus ester detection, and particularly discloses a method for extracting various organophosphorus esters in water and a detection method for analyzing various organophosphorus esters in a full scanning mode based on ultra-high performance liquid chromatography electrostatic field orbitrap mass spectrometry. According to the method provided by the invention, 12 typical organophosphorus esters in the water body can be effectively separated, accurately qualitatively quantified and accurately quantified, the ion mass-to-charge ratio deviation is within 5ppm, and a good linear relation and a correlation coefficient gt are shown when the concentration is in a range of 2.5-200mu g / L; the detection limit ranges from 0.140 ng / mL to 0.921 ng / mL, and the quantification limit ranges from 0.280 ng / mL to 1.84 ng / mL. The matrix adding standard recovery range is 74.0%-117.1%, the relative standard deviation between parallel samples is lower than 10%, and the method has good reproducibility and low detection limit.

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 invention provides an ultra-high performance liquid chromatography-quadrupole rod / electrostatic field orbitrap high-resolution mass spectrometry detection method for a four-season antiviral mixture, which adopts ultra-high performance liquid chromatography-quadrupole rod / electrostatic field orbitrap high-resolution mass spectrometry, and the optimal chromatographic conditions are as follows: 0-1.0 min, 98%-98% A and 2.0%-2.0% B; 1.0-14.0 min, 98%-70% of A and 2.0%-30.0% of B are added; in 14.0-25.0 min, 70%-0% of A is adopted, and 30%-100% of B is adopted; 25.0-28.0 min, 0%-0% of A and 100%-100% of B are included; from 28.0 min to 28.1 min, 0%-98% of A is adopted, and 100%-2% of B is adopted; 28.1-30.0 min, 98%-98% of A and 2%-2% of B are included; 148 chemical components, including 31 glycosides, 14 terpenoids, 54 flavonoids, 10 lignans, 23 organic acids, 3 alkaloids and 13 other types, are identified in total. The detection method can provide reference for internal quality detection of the traditional Chinese medicine, research on basic components of pharmacodynamic substances of the traditional Chinese medicine and authenticity identification of traditional Chinese medicine components.

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 present invention relates to a detection method for SARS-CoV-2S1 protein. In this method, the SARS-CoV-2S1 protein is pre-treated by solution enzymatic hydrolysis to obtain S1 peptides, a C18 chromatographic column is used to separate the samples, and an orbitrap high-resolution mass spectrometer is used for data acquisition. First, data acquisition of S1 peptide samples is performed under the data-dependent mode (DDA) of the mass spectrometer, 6-10 high-intensity specific peptides with a large number of peptide matching spectra (PSM) are selected, and a peptide library of parallel reaction monitoring mode (PRM) is constructed; finally, the SARS-CoV-2S1 protein is identified according to the constructed PRM peptide library. This technology can realize high-sensitivity and high-precision detection of SARS-CoV-2S1 protein, and is expected to become an important supplementary method for nucleic acid detection in human trace virus detection and cargo surface trace virus detection, and play an important role in curbing the spread of SARS COV-2.

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 post-translational modification identification method of a single protein based on mass spectrometry, and relates to the technical field of proteomics analys.The post-translational modification identification method is characterized in that firstly, target protein is enriched through IP, onbeads enzymolysis is carried out, peptide fragments are generated, and desalination is carried out; then separating the peptide fragment by adopting gradient elution-nanofluidic liquid chromatography; carrying out mass spectrum acquisition in a mode of carrying out CID mode fragmentation, carrying out primary ion detection by adopting an Orbitrap detector and carrying out secondary ion detection by adopting a dual-pressure linear ion trap; then, through a dynamic exclusion strategy, the exclusion time is 30 s, and the low-abundance peptide fragment collection efficiency is improved; and finally, two kinds of software, namely Proteome Discover and Peaks Studio, are used for respectively carrying out retrieval and verification, so that the post-translational modification of the protein is better identified. According to the method, by optimizing a fragmentation mode and a multi-detector cooperation strategy, the modification site identification sensitivity and the sequence coverage rate are remarkably improved.