845 results about "Mass" patented technology

The invention discloses a standard volume-based mass spectrum signal calibration system and method, and belongs to the field of measurement, the standard volume-based mass spectrum signal calibration system comprises a standard flow generation system and a mass spectrum detection system.The standard flow generation system comprises a standard tank, a first valve, a fifth valve and a micro-leakage valve which are sequentially connected through a gas pipeline; a gas inlet pipeline, a film gauge and a first molecular pump set are connected to a gas pipeline connecting the first valve and the fifth valve in parallel, a second valve is installed on the gas inlet pipeline, and a fourth valve is installed at an inlet of the first molecular pump set. The mass spectrometry detection system comprises a vacuum chamber communicated with the micro-leakage valve through a gas pipeline, a mass spectrometer, a second molecular pump set and a full-scale gauge are connected to the vacuum chamber, and a gate valve is installed at an inlet of the second molecular pump set. The gas release rate can be calculated and continuously adjusted on the premise that a leak hole is not needed, and the problems that in the prior art, a standard leak hole is limited in application range, low-flux measurement is inaccurate, the nominal leak rate is prone to drifting, and cost is high are solved.

The invention relates to the technical field of vacuum measurement, in particular to a device for expanding the linear range of mass spectrometry measurement, which comprises a gas transmission pipeline, an electromagnetic valve, a small hole and a mass spectrometer, and is characterized in that the front end of the gas transmission pipeline is used for allowing a sample to be measured to enter, and the rear end of the gas transmission pipeline is connected with the mass spectrometer; the middle part of the gas transmission pipeline is divided into three channels, namely a first gas transmission pipeline, a second gas transmission pipeline and a third gas transmission pipeline; the first electromagnetic valve and the first small hole are sequentially arranged on the first gas transmission pipeline, the second electromagnetic valve and the second small hole are sequentially arranged on the second gas transmission pipeline, and the third electromagnetic valve and the third small hole are sequentially arranged on the third gas transmission pipeline. According to the method, manual dilution or segmented sample injection is not needed, a wide concentration range can be covered by single analysis, more than 60% of time cost is saved, and measurement in a dynamic range of 106 is realized.

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 provides a mass spectrometer operation state monitoring method, system and device and a medium, and relates to the technical field of fault monitoring, and the method comprises the steps: collecting environment parameters in a mass spectrometer operation environment, carrying out the vacuum degree influence analysis of a mass spectrometer according to the environment parameters, and obtaining vacuum degree influence parameters; analyzing the mass axis offset influence of the mass spectrometer according to the environmental parameters to obtain mass axis offset parameters; testing to obtain an actual vacuum degree influence parameter and an actual mass error parameter of the mass spectrometer, performing state influence verification by combining the vacuum degree influence parameter and the mass axis offset parameter, and processing to obtain a vacuum verification coefficient and a mass verification coefficient; and according to the vacuum verification coefficient and the quality verification coefficient, performing fusion state anomaly analysis on the vacuum degree influence parameter and the quality axis offset parameter to obtain a state anomaly coefficient, and performing fault judgment and early warning. The technical problem that fault early warning is not timely in the monitoring process of the operation state of the mass spectrometer in the prior art is solved.

Known mass spectral data of a library of spectra corresponding to known compounds or known mass spectral data determined from a database of known compounds are compressed using a neural network encoder, producing a group of corresponding compressed known representations of known mass spectral data. Experimental mass spectral data of an experimental mass spectrum is compressed using the neural network encoder, producing a compressed experimental representation of the experimental mass spectral data. The experimental representation is compared to the group of known representations and each comparison is scored. At least one comparison with a score above a predetermined score threshold is selected. A known compound is determined from the selected at least one comparison. The known compound is identified as a compound of the experimental spectrum.

The invention relates to the technical field of mass spectrometers, and discloses a mass spectrometer tuning method and device, electronic equipment, a storage medium and a program product, and the method comprises the steps: obtaining a tuning parameter data set of a target mass spectrometer, the tuning parameter data set comprising a plurality of tuning parameters and a parameter range corresponding to each tuning parameter; obtaining an optimization target of the target mass spectrometer; based on the tuning parameter data set, the optimization target and a pre-constructed constrained multi-target Bayesian optimization framework, predicting an optimal tuning parameter combination of the optimization target, the optimal tuning parameter combination being used for tuning the target mass spectrometer; the constrained multi-objective Bayesian optimization framework combines Bayesian optimization and multi-objective optimization. According to the invention, multi-objective optimization is carried out based on the constrained multi-objective Bayesian optimization framework, the optimal tuning parameter combination can be automatically generated, simultaneous tuning of multiple parameters of the mass spectrometer is realized, and the tuning performance and precision of the mass spectrometer are improved.

The invention discloses an ultratrace mercury isotope analysis method, and relates to the technical field of environmental analysis. The method comprises the following steps: purging a liquid sample to be detected by nitrogen in a stannous chloride atmosphere, and trapping and concentrating mercury into a gold trapping tube; pyrolyzing the pyrolytic gold trapping tube to release mercury vapor; pyrolytic mercury vapor and thallium isotope internal standard aerosol are mixed to serve as a sample injection sample, and the sample injection sample is introduced into a multi-receiver inductively coupled plasma mass spectrometry; acquiring a mercury instantaneous signal and a thallium isotope signal; and calculating the mercury isotope ratio by adopting least square linear regression fitting in combination with a thallium internal standard ratio correction algorithm. According to the method, the instantaneous mercury isotope signal is generated by online combination of gold trapping and multi-receiver inductively coupled plasma mass spectrometry, the instantaneous signal is strategically collected and processed, the determination concentration of isotope analysis can be greatly reduced, the sensitivity of the method is remarkably improved, and direct determination of mercury isotope composition in a water sample with the concentration of 10 ng L <-1 > is met.

The invention provides a mass flow meter control method and system, a storage medium and electronic equipment, and relates to the technical field of flow monitoring. According to the technical scheme provided by the invention, the relation comparison table of the environment information and the fluid state information is established by collecting the historical data of the first multiple measurement nodes in the pipeline, and the target gas-liquid proportion is calculated by combining the current environment information and the fluid state information; and then matching the calculated target gas-liquid proportion with a preset gas-liquid proportion interval, selecting a corresponding correction weight, and establishing a corresponding relationship between gas-liquid proportion change and measurement correction. And finally, the correction weight is applied to the adjustment of the initial mass flow data, the influence of the gas-liquid proportion change on the measurement result is effectively compensated by establishing a complete data association and correction mechanism, the limitation of a single working condition calibration or simple compensation mode in the related technology is overcome, the mass flow of the fluid can be accurately measured, and the measurement accuracy is improved. And the measurement precision of the mass flow meter under a complex working condition is obviously improved.

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 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.

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.

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.

In a mass spectrometer (10) for gas analysis, comprising: a mass spectrometer housing (12) evacuated by a vacuum pump; an ion source (16) for ionizing gas atoms or molecules entering the mass spectrometer enclosure (12) and accelerating ions in the mass spectrometer enclosure (12); an ion trap (22) made of an electrically conductive material for collecting ions generated by the ion source (16); an electrical measurement device (24) for measuring the potential or current of the ion trap (22) and connected to the ion trap (22) for inferring the ions collected by the ion trap (22) from the measured potential or current; a magnetic or electromagnetic deflection device configured to deflect or map ions having a specific mass-to-charge ratio to the ion trap (22); an electron barrier (30) made of an electrically conductive material is provided at the ion trap (22), the electron barrier having a lower potential than the ion trap (22) and being configured to generate a reverse electric field to return electrons released from the ion trap (22) onto the ion trap (22).

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.

The invention discloses a card type DSL generation method for mass spectrum metadata standardization, and relates to the field of mass spectrum data analysis, and the card type DSL generation method comprises the following steps: constructing an initial mass spectrum metadata card type DSL model based on a mass spectrum experiment process and a standard term; analyzing causal association between the historical mass spectrum data set and fields in the initial mass spectrum metadata card type DSL model by adopting a causal discovery algorithm, generating a field diagnosis report, and generating a core version mass spectrum metadata card type DSL model based on the field diagnosis report; compiling the core version mass spectrum metadata card type DSL model through a DSL compiler to generate a data checker, a user data entry form and a data access API interface; and integrating a metadata quality score deployment engine in the user data entry form. Integrity verification of submitted data is completed through the data verifier, compliance data is stored in the target database through the data access API interface, and the technical problems of field redundancy, low input efficiency and difficult quality control in the mass spectrum metadata standardization process are solved.

The invention relates to the technical field of ore recognition, in particular to a method and a system for quickly and preliminarily recognizing field ore quality of coal-series trilean metal mineral products, which comprises the following steps of: acquiring ore samples and acquiring main peaks, structures and infrared images, extracting image features to generate mutation numbers, analyzing sampling coordinates to reconstruct a connection structure, and calculating the quality of the coal-series trilean metal mineral products. Drawing a closed boundary to judge coordinate attribution, and outputting an ore quality identification scheme. According to the method, main peak reflection, microscopic image layers and infrared spectrum acquisition results are numbered in a unified manner and are subjected to time sequence binding, a synchronous corresponding relation among multi-source images is established, continuous change nodes and sudden change areas are identified in combination with offset tracks and structural features, spatial concentration blocks are generated by using number and coordinate mapping, and a connected structure is reconstructed; and drawing a closed boundary according to the track to form a region classification basis, verifying a mass change direction through image sequence coherence, and outputting a tagging identification result, thereby realizing rapid positioning and accurate classification of the field ore sample.

The invention relates to the technical field of novel material chemical analysis, and discloses a triphenyl phosphate purity standard substance valuing method, which comprises the following steps: filtering, drying, dissolving and sterilizing a triphenyl phosphate sample; a triphenyl phosphate sample is comprehensively analyzed from different angles by comprehensively applying a GC-MS (Gas Chromatography-Mass Spectrometry) technology, an NMR (Nuclear Magnetic Resonance) technology, an infrared spectroscopy, a gas chromatography-flame ionization detector method, a Karl Fischer method and an inductively coupled plasma mass spectrometry, and finally, the purity value of the triphenyl phosphate purity standard substance is calculated by a mass balance method. The method provides a scientific and accurate technical means for quality control and standard formulation of the triphenyl phosphate product, has important practical application value for related industries in the fields of chemical engineering and material science, and is beneficial for improving the product quality and promoting industrial upgrading.

The invention belongs to the technical field of biomolecular interaction detection, and particularly relates to a method for synergistically analyzing a molecular interaction state based on multimodal optical parameters of a rare earth up-conversion nano material. The method comprises the following steps: S1, providing a ligand coated rare earth up-conversion nano material UCNPs probe; s2, enabling the rare earth up-conversion nano material UCNPs probe to be in contact with a solution sample to be detected; s3, exciting the rare earth up-conversion nano material UCNPs probe by using near-infrared pulse laser, and collecting the following optical parameters: luminous intensity change, molecular layer thickness / mass change delta D, luminous life change delta tau and emission peak displacement delta lambda; and S4, based on at least two of the parameters, cooperatively analyzing and judging the interaction state of the ligand on the surface of the probe and the molecules in the solution sample to be detected. The molecular interaction state is synergistically analyzed based on changes of multiple optical parameters, and the technical problem that an existing molecular interaction analysis technology cannot be applied to complex biological samples (serum and cell lysis buffer) is solved.

The invention provides a method and a device for in-situ determination of quartz oxygen isotope in shale, and relates to the technical field of geological prospecting, the method comprises the following steps: crushing or cutting a shale core sample to obtain a core square block, embedding the core square block into a metal target, and pre-treating to obtain a shale sample; scanning and photographing the surface of the shale sample according to a preset mode, splicing a reflected light panoramic image, judging quartz attribute characteristics and cause types of a test target through observation, and delineating the position of the test target; positioning the position of a test target according to the morphology characteristics of the test target and different surrounding reference objects in combination with the reflected light panoramic image, and performing in-situ oxygen isotope test on the test target by using a nanoscale secondary ion probe mass spectrometer to obtain in-situ oxygen isotope test data; and checking each in-situ oxygen isotope measuring point pit position of the shale sample, performing quality control on in-situ oxygen isotope test data according to a checking result, and determining an in-situ oxygen isotope measuring result.

A system includes a first pre-separation device configured to perform a first pre-separation of precursor ions according to mobilities of the precursor ions and a second pre-separation device positioned downstream of the first pre-separation device configured to perform a second pre-separation of precursor ions based on a mass-to-charge ratio (m / z) of the precursor ions. The system further includes a mass spectrometer positioned downstream of the second pre-separation device configured to acquire mass spectra for precursor ions emitted from the second pre-separation device. The second pre-separation device is synchronized with the mass spectrometer such that an m / z range of precursor ions emitted from the second pre-separation device corresponds to a precursor m / z isolation window of the mass spectrometer.

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.

A trace of intensity versus time values is received for a series of samples produced by a mass spectrometer. Also, a series of ejections times corresponding to the series of samples produced by a sample introduction system is received. A series of expected peak times corresponding to the series of ejection times are calculated using a known delay time from ejection to mass analysis. At least one isolated peak of the trace is identified using the series of expected peak times. A peak profile is calculated by fitting a mixture of at least two different distribution functions to the at least one isolated peak. For at least one time of the series of expected peak times, an area of a peak at the one time is calculated by fitting the peak profile to the trace at the one time and calculating an area of the fitted peak profile.

A method for a structural analysis of a sample molecule using a mass spectrometer includes: a process for obtaining a standard analysis condition for each of setting items for performing a molecular-related ion measurement, where the setting items include an ion amount setting item, a mass-to-charge-ratio range setting item, and a signal intensity setting item; a process for performing a product ion measurement under an altered analysis condition, to acquire mass spectrum data of the product ion measurement, where the altered analysis condition is prepared by changing at least one of analysis conditions of the ion amount setting item, the mass-to-charge-ratio range setting item and the signal intensity setting item in the standard analysis condition; a process for extracting peaks corresponding to the fragment ions; and a process for determining at least a portion of the structure of the sample molecule based on mass information of the extracted peaks.

The present invention discloses a method for quantitative determination of trace harmful elements in various flotation products of rare polymetallic ores, which includes three parts: sample processing, preparation of complex matrix standard solution and sample testing. Each flotation product is digested with analytically pure concentrated nitric acid; the main mineral species of each product are determined by XRD, and the high-purity standard substances of each main associated mineral are digested with analytically pure concentrated nitric acid, and the content of harmful elements to be monitored is determined by ICP-MS after appropriate dilution; each standard substance digestion solution is diluted to a major element concentration of 1000μg / mL, and used to dilute the harmful element standard stock solution to obtain standard solutions with different concentration gradients; then the process blank and digestion sample are tested using an inductively coupled plasma mass spectrometer using a combination of internal standard method and matrix matching to obtain the content of trace harmful elements to be measured. It effectively overcomes the mass spectrometry and non-mass spectrometry interference problems faced by complex matrix sample testing, is suitable for the analysis and testing of trace element content in complex samples, and has a simple method and is easy to operate.

Determination of sensitive and accurate feature values from a matrix-assisted laser desorption / ionization (MALDI) spectrum of a sample is provided. A peak shape function of the mass spectrometer is read. A fine structure component is determined for a first range of the mass spectrum by estimating and subtracting a first background from the mass spectrum. A bump structure is determined for the first range by estimating a second background, which is stiffer than the first background, and subtracting it from the first background. A convolution of the fine structure component is computed for the first range of the mass spectrum with the peak shape function. A first plurality of peaks in the first range is determined from the convolution. A feature value indicative of an abundance associated with each of the first plurality of peaks is determined by combining the first plurality of peaks with the bump structure.

The mass spectrometer according to the present disclosure is a mass spectrometer that generates a group of product ions from a precursor ion derived from a sample component having a hydrocarbon chain and performs mass spectrometry thereon, and includes a reaction chamber, an electrode, an introduction unit, a mass separation unit, a detection unit, a power supply unit, and a controller. The controller performs mass spectrometry on the sample component while alternating between a first analysis mode in which ions are detected in a first polarity mode and in a multimode, and a second analysis mode in which ions are detected in a second polarity mode and in a single mode.

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 discloses a method for determining carbon isotopes of low-concentration soluble organic carbon in a water body, and belongs to the technical field of organic carbon detection. The determination method comprises the following steps: combining a TOC analyzer and a stable isotope mass spectrometer, and converting DOC in a water body into CO2 gas by adopting the TOC analyzer; cO2 gas generated by the TOC analyzer is enriched for the first time through the cold trap T1; the CO2 gas frozen by the cold trap T1 is enriched for the second time through a cold trap T2; introducing the CO2 subjected to secondary enrichment into a stable isotope mass spectrometer, and determining the carbon isotope composition of the CO2. Aiming at a low-concentration DOC water body, the carbon isotope composition of DOC in the water body is determined on the basis of combination of a wet oxidation technology and stable isotope mass spectrometry detection, a wet oxidation method is used for increasing the volume of a water sample to generate more CO2 for stable isotope mass spectrometry determination, so that more accurate carbon isotope composition is obtained, and the method is efficient, time-saving, labor-saving and accurate.

The invention belongs to the field of liquid chromatography-mass spectrometry detection, and discloses a liquid chromatography-mass spectrometry detection method for trace target objects in seawater, which comprises the following steps: firstly, configuring and precisely calibrating parameters such as flow velocity, column temperature, ion source voltage and the like for a liquid chromatography system, a chromatographic column, an automatic sampler and a tandem mass spectrometer; then, a methanol-water (containing 0.1% formic acid) system is adopted to implement linear gradient elution, polar difference component separation is considered, and analysis duration is compressed; a sample is subjected to solid-phase extraction, purification and concentration, then is automatically injected, is subjected to chromatographic separation and then enters an electrospray ion source; a mass spectrum end selects a dynamic multi-reaction monitoring (dMRM) mode, characteristic ion pairs are collected in a preset time window, and selective scanning and baseline noise suppression are achieved; and finally, utilizing retention time matching and internal standard correction to obtain a pg.L <-1 > magnitude quantitative result.