883 results about "Mass spectrometric" patented technology

The invention discloses a micro proportional valve gradient composite coating and a preparation method thereof, and belongs to the technical field of micro proportional valve surface strengthening manufacturing. Aiming at the corrosion-resistant and wear-resistant requirements of the micro proportional valve under the working conditions of strong corrosion, multiple impurities and high pressure difference, the interface strengthening and corrosion-resistant and wear-resistant performance optimization of a metal matrix and a functional coating are combined, and metal / ceramic / polymer gradient material design, spraying parameter suitability research and a coating porosity / bonding strength control method are covered; the valve core and valve seat protection device is suitable for high-efficiency protection technical systems of valve cores and valve seats of precise instruments such as gas chromatographs and mass spectrometers.

The invention discloses a river nitrogen pollutant source analysis method based on drainage basin nitrogen turnover and isotope, and particularly relates to the technical field of water treatment.The river nitrogen pollutant source analysis method comprises the following steps that a drainage basin to be researched is selected, river water and soil samples in the drainage basin are systematically collected, and physical and chemical indexes and isotope indexes # imgabs0 # of the collected samples are tested. Nitrate marked by nitrogen isotope delta 15N / delta 18O and # imgabs1 # are used as key indication marks to perform high-precision identification on nitrogen sources in a river and an environmental system, the contribution proportion of different nitrogen sources to the nitrate concentration in a water body is quantified through a stable isotope analysis model, and the concentration of the nitrate in the water body is calculated. And in combination with data, the rates of denitrification and anaerobic ammonia oxidation in environmental samples, sediments and soil are directly measured through combined application of an isotopic tracer technology and a membrane inlet mass spectrometer technology.

The invention discloses a mass spectrometric detection method and system based on data twinning. The method comprises the following steps: acquiring original mass spectrometric data of a sample through mass spectrometric detection equipment; performing multi-stage intelligent mass spectrum data preprocessing on the original mass spectrum data; training the processed mass spectrum data by using a machine learning algorithm, and constructing a data twin model which is used for obtaining a mass spectrum analysis result; and inputting new mass spectrum data into the trained data twin model to obtain a mass spectrum analysis result. According to the invention, mass spectrum data are identified and classified, and specific chemical components in the sample are identified and quantitatively analyzed. By performing multi-stage intelligent mass spectrum data preprocessing on the original mass spectrum data, the quality and reliability of the data are improved, the accuracy of the data is improved, the mass spectrum data are analyzed through the data twin model, and the analysis efficiency of the mass spectrum data is improved.

Methods, devices, and systems for improving the quality of electrospray ionization mass spectrometer (ESI-MS) data are described, as are methods, devices, and systems for achieving improved correlation between chemical separation data and mass spectrometry data.

MS-based methods and systems are provided herein in which a desorption solvent desorbs one or more analyte species from an SPME device within a sampling interface that is fluidly coupled to an ion source for subsequent mass spectrometric analysis. In accordance with various aspects of the applicants teachings, the sampling interface includes an internal sampling conduit that provides increased interaction between the desorption solvent and the sampling substrate, thereby improving mass transfer (e.g., increased extraction or desorption speed).

A charge detection mass spectrometer includes an ion trap configured to store ions therein and to release stored ions therefrom, and an electrostatic linear ion trap (ELIT) array, in the form of at least two ELITs or ELIT regions each spaced apart from the ion trap, each ELIT or ELIT region including first and second ion mirrors and a charge detection cylinder positioned therebetween. The ion trap is controlled to release at least some of the stored ions to travel toward and into each of the ELITs or ELIT regions, and the first and second ion mirrors of each of the ELITs or ELIT regions is controlled in a manner which traps one or more ions traveling therein and causes the trapped ion(s) to oscillate back and forth between the first and second ion mirrors each time passing through and inducing a corresponding charge on the charge detection cylinder.

The invention discloses a handheld solid sample in-situ extraction device and application in mass spectrometric detection.The device is an off-line in-situ extraction device and comprises a handheld extraction system A, a liquid supply system for providing a solvent for the handheld extraction system A and a negative pressure system for driving an extracting solution to flow in the handheld extraction system A; or the device is an online in-situ extraction device and comprises a handheld extraction system B and a liquid supply system for providing a solvent for the handheld extraction system B. According to the handheld solid sample in-situ extraction device provided by the invention, chemical information of a target sample can be rapidly obtained in an off-line extraction or on-line analysis form in cooperation with various mass spectrometry technologies, so that the flexibility and the application mode of the in-situ extraction detection device are enhanced, and pollution caused by approaching mass spectrometry is reduced.

The invention discloses a method for rapidly and accurately determining the content of organochlorine pesticides in water, and belongs to the field of organochlorine pesticide content determination, and the method comprises the following steps: adding a regulator into a water sample, uniformly shaking, adding a substitute, and uniformly shaking again; adding sodium chloride into the water sample treated in the step S1, putting the water sample into a liquid-liquid extraction oscillator, and oscillating until the water sample is completely dissolved; s2, adding an extracting agent into the water sample treated in the step S2, vigorously oscillating, standing for layering, putting the lower-layer water sample into a reagent bottle, transferring an upper-layer extracting solution into a drying column, washing and dehydrating, and then transferring into a concentration bottle; the step S3 is executed again on the remaining water sample in the step S3; and S4, combining the eluents in the steps S3 and S4, transferring into a full-automatic nitrogen blowing instrument, concentrating to 1ml, adding an internal standard solution, and performing gas chromatography-mass spectrometer analysis after volume metering to obtain the content of the organochlorine pesticide in the water sample. The method has the beneficial effects that the method has the advantages of high efficiency, rapidness and accurate detection, and the method is simple to operate, low in cost and high in concentration efficiency and recovery stability.

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.

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.

The invention provides an insulating oil gas mass spectrum analysis method and system. The method comprises the following steps: firstly, circulating vacuum degassing for one time, then deoiling and dehydrating the removed gas, introducing the deoiled and dehydrated gas into a mass spectrometry detection unit, carrying out primary detection, calling a self-adaptive algorithm and selecting proper circulating vacuum degassing times based on a primary detection result in combination with degassing temperature and degassing pressure of circulating vacuum degassing, and entering second-stage vacuum degassing; and deoiling and dehydrating the deoiled gas, and introducing the deoiled gas into a mass spectrometric detection unit for secondary detection to obtain a final detection result. According to the method, effective fusion of efficient degassing and rapid detection is realized, and reliable technical support is provided for rapid and accurate online monitoring and real-time fault diagnosis of the insulating oil dissolved gas.

The invention relates to the field of mass spectrometry, and describes a mass spectrometer based on multi-electrode coordination of a Jooden well. A multi-port ion source configured for multi-port input of electrons of ionization of gas molecules in a well and ions in an ion source outside the well, the ports being autonomously usable, comprising two external electrodes and four internal electrodes configured to excite periodic movement of ions in the well along an axis of symmetry and to detect signals caused by ions of secondary potential oscillation in the well, wherein ions are introduced into the trap from an external source with a slot, and ion movement is excited by applying an alternating voltage or the like to the electrodes. Or using a slot to introduce ions from an external source into a well in an external electrode, applying a potential to an internal electrode to create an electric field, the size of which is in a quadratic relationship with the coordinates, the electrodes having a specific equipotential surface geometry. Pulsed potentials can be applied to capture ions, multiple external ion sources can be equipped, and if the ion sources are not combined, each can be provided with a separate port. The mass spectrometer is uniquely designed in the aspects of ion input, excitation, detection, ion source configuration and the like.

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.

The present invention relates to a method for quickly identifying white vaseline from different manufacturers based on silver salt-assisted laser desorption ionization-time of flight mass spectrometry, and belongs to the field of detection. Specifically comprising the following steps: S1, exploring and optimizing metal salt ion conditions, matrix conditions, and sampling methods, and using the optimized experimental conditions for sample preparation; S2, measuring the sample; S3, using eMSTAT Solution software for data analysis to achieve identification of white vaseline from different manufacturers. The method of the present invention replaces traditional organic matrices with silver salts, eliminates background interference, and improves the mass spectrometry signal-to-noise ratio; combines a direct smearing method to avoid complex solvent preparation and extraction, and is easy to operate; applies a mass spectrometer for mass spectrometry acquisition, has accurate molecular weight, reduces the detection time of each sample to 6 seconds, has high analytical throughput, and is low in cost, thereby achieving high-throughput, accurate, and rapid identification of large quantities of white vaseline from different sources.

The invention discloses a detection method for determining N-nitroso-Vonoprasan in Vonoprasan fumarate, and belongs to the technical field of medicine detection.The detection method comprises the steps that a solution is prepared, and detection is conducted; the detection comprises the following steps: determining a test solution and a reference solution by adopting a liquid chromatography-mass spectrometry method, recording a chromatogram, and calculating the content of N-nitroso-Vonorazan according to the chromatogram and an external standard method; according to the method, a triple quadrupole rod liquid phase mass spectrometer is adopted; a chromatographic column adopts octadecyl silane bonded silica gel as a filling agent, the specification of the chromatographic column is Poroshell 120EC-C18, 1.9 mu m, 50 mm * 3.0 mm; a mobile phase is composed of a mobile phase A and a mobile phase B, and gradient elution is adopted; the ultra-high pressure chromatographic column is adopted, the operation time is shorter, the signal-to-noise ratio is higher, the detection sensitivity is higher, the detection cost is lower, and the detection requirement can be met on a low-end triple quadrupole mass spectrum.

Methods are described for measuring the amount of one or more of vitamin A, α-tocopherol, and the combination of β-tocopherol and γ-tocopherol in a sample. More specifically, mass spectrometric methods are described for detecting and quantifying one or more of vitamin A, α-tocopherol, and the combination of β-tocopherol and γ-tocopherol in a sample.

The invention relates to the field of glyceride structure analysis, in particular to a non-targeted analysis method and system for a glyceride structure based on a chromatography-mass spectrometry technology. The method comprises the following steps: constructing a molecular total composition database, a chain composition identification database and a carbon-carbon double bond position identification database; performing primary mass spectrometric detection on the glyceride sample to obtain a substance molecular weight, and comparing the substance molecular weight with the lipid molecular weight in the database to obtain total composition data; performing secondary mass spectrometric detection on the total composition data, comparing lipid chain hierarchy diagnosis ions with a database, and determining chain composition data and chain sn-position; performing photochemically derived secondary mass spectrometry on the chain composition data, and comparing lipid C = C diagnosis ions with a database to obtain C = C position information; in combination with total composition, chain composition, chain sn-position and C = C position information of glyceride, a biomedical research process is guided. According to the invention, non-targeted, rapid, comprehensive and high-throughput identification of total composition, chain composition, chain sn-position and C = C position of a complex glyceride sample is realized.

The invention discloses a method for in-situ determination of higher fatty acid in Baijiu, and belongs to the technical field of Baijiu detection. In order to realize in-situ simultaneous detection of a plurality of higher fatty acids in Baijiu, the invention provides a method for determining a plurality of higher fatty acids in Baijiu based on combination of ultra-high performance liquid chromatography and a quadrupole-electrostatic field orbitrap mass spectrometer, according to the method, liquid sample introduction is carried out directly or after membrane passing, and analysis is carried out through a high-resolution liquid mass spectrometer. And performing external standard method quantification after SIM mode scanning to obtain the content of the 14 higher fatty acids in the to-be-detected sample. According to the method, tedious pretreatment and derivatization processes are avoided, the 14 trace or trace higher fatty acids in the Baijiu can be accurately quantified at the same time, accurate verification can be achieved in Luzhou-flavor Baijiu, Fen-flavor Baijiu, Maotai-flavor Baijiu and rice-flavor Baijiu, the steps are simple, and operation is convenient.

Systems and methods described herein provide for charge state control of multiply-charged anions in a front end, high pressure ion guide. In some example aspects, a mass spectrometer system is provided comprising a first vacuum chamber (121) maintained at a pressure above about 500 mTorr. At least one ion guide (106) is disposed within the first vacuum chamber, the at least one ion guide comprising a plurality of rods extending along a central longitudinal axis. A controller (193) is configured to adjust an amplitude of an RF voltage signal provided to the plurality of rods so as to alternatively operate the ion guide in a first mode of operation with a lower amplitude of the RF voltage signal so as to reduce the likelihood of charge reduction by electron detachment so as to substantially maintain the isotopic distribution of the ions during transmission of ions through the ion guide, and a second mode of operation with a higher amplitude of the RF voltage signal so as to increase the likelihood of electron detachment from ions being transmitted therethrough.

Disclosed is a method and device for the mass spectrometric quantification of two or more known target ion species, in which a mass spectrometric signal, composed of signal components of the two or more target ion species, which are not mass resolved in the mass spectrum, is weighted with quantification functions and summed, and a quantification parameter is determined for the two or more target ion species from the weighted sums.

The invention discloses a traditional Chinese medicine decoction piece full life cycle data management system and method, and relates to the field of data processing, and the method comprises the steps: collecting traditional Chinese medicine planting environment data through a sensor, and encrypting and storing the data through a block chain; in the processing link, the moisture evaporation condition is predicted through an LSTM neural network, and an early warning mechanism is set; in the processing process, the process is adjusted through a Raman spectrum; components and pesticide residues of the finished product are ensured to be qualified through mass spectrometric detection; the clinical end collects prescription and curative effect data optimization process; all data are synchronized through a block chain and a cross-chain protocol; through a data lake architecture and a graph neural network model, a planting area and a processing technology are optimized. The system has the advantages that through technologies such as a sensor, a block chain and an AI model, whole-process data tracing and optimization from planting to clinical use are realized, the quality and curative effect of a traditional Chinese medicine product are improved, and transparency and safety of the whole process are ensured.

The invention discloses a method for detecting 18 phthalic acid ester substances in brewed sauce, which specifically comprises the following steps: step 1, obtaining a sample of the brewed sauce to be detected, adding a phthalic acid ester substance internal standard working solution containing deuterated isotope and water, uniformly mixing, adding sodium chloride and acetonitrile, continuously uniformly mixing, and detecting the content of the phthalic acid ester substances in the brewed sauce to be detected; carrying out ultrasonic extraction treatment for 5-15 minutes, adding an ultrasonic extracting solution into a mixture of PSA, C18 and MgSO4, and carrying out centrifugal treatment to obtain supernate; 2, carrying out nitrogen blowing on the supernate until the supernate is nearly dry, and fixing the volume by using normal hexane to obtain a sample to be detected; and step 3, detecting by adopting a gas chromatography-tandem mass spectrometer isotope internal standard method.

The invention relates to the technical field of raw silk inspection, in particular to a method for simultaneously identifying feed silkworm rearing raw silk, mulberry leaf silkworm rearing raw silk and fresh cocoon raw silk / dry cocoon raw silk, which comprises the following steps: grinding the feed silkworm rearing raw silk, mulberry leaf silkworm rearing raw silk, fresh cocoon raw silk and dry cocoon raw silk from the same source, adding equal amount of hydrochloric acid after grinding, mixing and reacting, stirring by using a glass rod, and standing for 24 hours; then carrying out ultrasonic treatment and centrifugation, and removing supernate; removing the supernatant, adding the same amount of deionized water, stirring, washing, standing, pouring out the supernatant, repeating for several times, centrifuging, taking the precipitate, drying, grinding and crushing to obtain an extract; and determining the obtained extract by adopting a stable isotope ratio mass spectrometer, and judging the silkworm rearing raw silk of the feed, the silkworm rearing raw silk of the mulberry leaves, the fresh cocoon raw silk and the dried cocoon raw silk according to the N content and the 15N relative content. The method for detecting the total N content and the < 15 > N relative content in the raw silk is reliable, high in recognition rate, visual and reliable in experimental result and high in accuracy.

Methods and systems are disclosed for predictive classification of a raw mass spectrum of a sample, the spectrum resulting from mass spectrometry analysis. The predictive classification is performed by a trained large-scale spectral model, including a self-supervised large-scale base spectral model trained with unidentified sample spectra from a plurality of sources and fine-tuned with a task-specific model trained with identified spectra.

The invention discloses a method for determining the content of trace holmium, thulium and tungsten in rare earth erbium and a compound thereof, which comprises the following steps: placing a rare earth erbium and compound sample thereof in a beaker, and performing a blank test along with a sample; adding nitric acid, heating at low temperature until the sample is completely dissolved, and cooling; transferring into a volumetric flask, adding a cesium internal standard solution, diluting with water, and uniformly mixing; the holmium, the thulium and the tungsten are measured by using an oxygen mode of an inductively coupled plasma tandem mass spectrometer, and the contents of the holmium, the thulium and the tungsten are calculated according to a working curve method. According to the method, the inductively coupled plasma tandem mass spectrometry technology is used, and mass spectrum interference of an erbium matrix on holmium, thulium and tungsten is effectively eliminated by selecting a proper reaction mode and optimizing the flow of reaction gas.

The present invention relates to a mass spectrometric method for determining isomeric amino acid residues of a peptide and comprises the steps of: generating a list of peptide candidates using the amino acid lead sequence of the peptide, said lead sequence comprising positions of determined amino acid residues and at least one position with undetermined isomeric amino acid residues; predicting the collision cross section for each peptide candidate; comparing the predicted collision cross section of each peptide candidate with an experimentally determined collision cross section of the peptide and assigning the isomeric amino acid residues of the best matching peptide candidate to the isomeric amino acid residues of the peptide.

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

The invention relates to the field of trace element detection, in particular to a system for detecting the concentration of trace elements in water. The gas chamber is connected with the atomization device, is internally provided with a light path capable of dynamically adjusting the White cell, and is used for enhancing a spectral absorption signal of the low-concentration trace elements; the light path modulation module is mounted on the side wall of the gas chamber; the temperature control module is used for adjusting the temperature of the optical element and the air chamber; the spectrum detection module is arranged behind the light outlet of the gas chamber and is used for detecting a spectrum signal after the aerosol is absorbed; the ionization and mass spectrum module comprises an ionization source and a mass spectrometer, the ionization source is used for ionizing the aerosol in the gas chamber into ions, and the mass spectrometer is used for separating the ions according to the mass-to-charge ratio and detecting the ions. According to the invention, a spectrum and mass spectrum combined technology is adopted, a water sample to be detected is atomized into aerosol water drops, and high-sensitivity detection of trace elements in water is realized by enhancing a spectrum absorption signal of low-concentration trace elements.

The invention relates to a hemoglobin peptide capable of promoting iron absorption and a preparation method thereof, the mass content of polypeptide in the hemoglobin peptide is greater than 90%, and the hemoglobin peptide contains at least one of FERF and FDGL; the preparation method comprises the following steps: S1, adding trisodium citrate into fresh animal blood, centrifuging, adding a NaCl solution for washing, preparing the solution, and performing high-pressure homogenization wall breaking for 2-5 times to obtain a hemoglobin solution; s2, adding 10-200 U / mL of neutral protease, carrying out heat preservation treatment, then adding 5-50 U / mL of flavourzyme, carrying out enzymolysis, and carrying out enzyme deactivation to obtain an enzymatic hydrolysate; s3, filtering with an ultrafiltration membrane, and collecting permeate; s4, adjusting the pH value, adding into an anion exchange chromatographic column, eluting with a NaCl solution, and collecting the eluent; s5, desalting, concentrating and drying to obtain hemoglobin peptide; and S6, carrying out mass spectrometric detection, and screening bioactive peptides to obtain the oligopeptide with the activity of promoting iron absorption. The hemoglobin peptide obtained by the preparation method disclosed by the invention has relatively good iron chelation capability and iron absorption promoting capability, and the bioavailability of iron ions can be remarkably improved.

And re-sampling triggered by uncertain results in mass spectrum screening. The invention provides a system / technical scheme for promoting repeated sample injection triggered by uncertain results in mass spectrum screening. In various embodiments, the system may access a screening list specifying a plurality of target compounds. In aspects, the system can classify a plurality of target compounds as present or absent in a sample, respectively, based on causing a chromatograph and a mass spectrometer to perform an iterative injection scheme on the sample, with subsequent iterations of the iterative injection scheme having progressive compound selectivity, and is triggered by the uncertain presence or absence of the classification result in the previous iteration.