129 results about "Orbitrap" patented technology

An electrostatic trap such as an orbitrap is disclosed, with an electrode structure. An electrostatic trapping field of the form U′(r,φ,z) is generated to trap ions within the trap so that they undergo isochronous oscillations. The trapping field U′(r, φ,z) is the result of a perturbation W to an ideal field U(r, φ,z) which, for example, is hyperlogarithmic in the case of an orbitrap. The perturbation W may be introduced in various ways, such as by distorting the geometry of the trap so that it no longer follows an equipotential of the ideal field U(r, φ,z), or by adding a distortion field (either electric or magnetic). The magnitude of the perturbation is such that at least some of the trapped ions have an absolute phase spread of more than zero but less than about 2π radians over an ion detection period Tm.

An electrostatic trap such as an orbitrap is disclosed, with an electrode structure. An electrostatic trapping field of the form U′(r,φ,z) is generated to trap ions within the trap so that they undergo isochronous oscillations. The trapping field U′(r, φ,z) is the result of a perturbation W to an ideal field U(r, φ,z) which, for example, is hyperlogarithmic in the case of an orbitrap. The perturbation W may be introduced in various ways, such as by distorting the geometry of the trap so that it no longer follows an equipotential of the ideal field U(r, φ,z), or by adding a distortion field (either electric or magnetic). The magnitude of the perturbation is such that at least some of the trapped ions have an absolute phase spread of more than zero but less than about 2π radians over an ion detection period Tm.

The chemical composition of petroleum samples is measured using orbitrap mass spectrometry with electrospray ionization (ESI). The orbitrap measurement is used in a screening to determine if one or more higher resolution (but more expensive) compositional analyses are justified.

The invention relates to a method for detecting illegally-added 42 chemicals in Chinese patent medicines and health care products simultaneously and belongs to the field of food safety. The detecting method disclosed by the invention is a high performance liquid chromatography-quadrupole / electrostatic field orbitrap high-resolution mass spectrum combined detecting method. According to the established method, the pretreatment process is simple and convenient, the analysis time is short, and the method is accurate, reliable, high in sensitivity and suitable for qualitative confirmation and quantitative detection of the illegally-added 42 chemicals in the Chinese patent medicines and the health care products and can be used for screening illegally-added drugs in the Chinese patent medicines and the health care products. Effective evidence is provided for control of quality of the health care products and fighting of illegal addition behaviors in the industry of health care products.

This invention relates generally to multi-reflection electrostatic systems, and more particularly to improvements in and relating to the Orbitrap electrostatic ion trap. A method of operating an electrostatic ion trapping device having an array of electrodes operable to mimic a single electrode is proposed, the method comprising determining three or more different voltages that, when applied to respective electrodes of the plurality of electrodes, generate an electrostatic trapping field that approximates the field that would be generated by applying a voltage to the single electrode, and applying the three or more so determined voltages to the respective electrodes. Further improvements lie in measuring a plurality of features from peaks with different intensities from one or more collected mass spectra to derive characteristics, and using the measured characteristics to improve the voltages to be applied to the plurality of electrodes.

The invention provides a detection method for illegal additives in weight-losing type Chinese patent medicines and health foods. A Q-Orbitrap high-resolution mass spectrometer is adopted and a Full MS Scan / dd-MS2 (Top N) scanning mode is carried out so that positive and negative ions are detected at the same time; the separation, high-precision first-grade mass spectrometric scanning and high-precision second-grade mass spectrometric scanning of analytes in a sample can be finished in an analyzing period to obtain accurate mass quantity and accurate fragment ion information; chromatography retention time, a first-grade mass spectrum and a second-grade mass spectrum of the sample are compared with those of a weight-losing type chemical component comparison product to determine that whether weight-losing type chemical medicines are doped into the sample or not; and rapid screening, confirmation and quantification can be carried out on a potential positive sample. The detection method has the advantages of high sensitivity, good selectivity, strong confirmation, simplicity and rapidness of operation and the like, can be used for accurately screening, has the sensitivity beyond comparison of traditional HPLC and low-resolution LC-MS, and can be used for identifying, confirming and quantitatively analyzing compounds in a single analysis period (12 minutes).

The invention discloses a mass spectrometric detection method of A1 / A2 beta-casein. The mass spectrometric detection method comprises the following steps that a) the amino acid sequence of A2 beta-casein is obtained; b) 67-site amino acid proline of A2 beta-casein is modified to be histidine, and the amino acid sequence of A1 beta-casein is obtained; c) a to-be-tested protein is cut to be a polypeptide segmented mixture with the low molecular mass by using a specific enzymolysis method, the molecular mass and segment information of polypeptides in the mixture are detected by utilizing an electrostatic field orbitrap high resolution mass spectrum full scanning mode and compared with the previous amino acid sequence, and whether the feature peptide fragment of A1 or A2 beta-casein exists ornot is determined qualitatively; and d) the fragment determined to be the feature peptide fragment of A1 or A2 beta-casein is selected to synthesize the isotope internal standard peptide fragment, andquantitative analysis is conducted by utilizing tandem quadrupole mass spectrometry to build a multiple reaction monitoring method. The mass spectrometric detection method can achieve qualitative identification and quantitative research of A1 and A2 beta-casein simultaneously, is high in sensitivity, precision and anti-interference capability, and can be widely applied to confirmation and detection of A2 milk products.

The invention discloses a method for screening 207 veterinary drugs and additives in animal food. The method specifically comprises the following steps: preparing a standard working solution; pretreating a to-be-detected sample; establishing a database; detecting a compound; screening the compound; confirming the compound and the like. According to the method, an ultra-high performance liquid chromatography-quadrupole rod / electrostatic field orbitrap high-resolution mass spectrometry technology is utilized to establish a rapid screening and confirmation method for simultaneously detecting 18 types of 207 compounds in animal food within 22 minutes. The method is efficient, the operability is high, good selectivity, precision and sensitivity are realized; convenient and rapid screening can be realized; the false positive rate is low; and the method is especially suitable for screening and confirmation of different kinds of compounds. The invention provides a complete rapid screening andconfirmation detection method for adding various veterinary drugs and additives into animal food, a detection and screening technical means for multiple residues in animal food is added; and the safety guarantee is provided for the national animal husbandry industry and food safety.

The invention discloses a method for efficient detection of neonicotinoid insecticides in honey. The method includes steps: (1) standard solution preparation; (2) to-be-detected sample treatment; (3) online solid-phase extraction; (4) high performance liquid chromatography and electrostatic field orbitrap high-resolution mass spectrometric determination. By combination of a high-efficiency high-repeatability online solid-phase extraction method and high performance liquid chromatography and electrostatic field orbitrap high-resolution mass spectrometric determination for detection of the neonicotinoid insecticides in honey, qualitative and quantitative determination of the neonicotinoid insecticides in samples can be realized, and detection results are sensitive and reliable; by adoption of the method, a sample pretreatment process is quick, simple and convenient, and operation efficiency is improved; due to appropriate selection of an extraction solvent, a cleaning agent, an eluent and mass spectrometric detection parameters according to characteristics of the neonicotinoid insecticides, precision and reliability in detection are improved.

The invention discloses a GC-Orbitrap-MS screening and analyzing method for pesticide residues in animal-derived food. The method comprises the following steps: (1) extraction: homogenizing an animal-derived food sample, mixing the homogenized animal-derived food sample with an extraction solvent and an extraction salt, carrying out oscillation extraction to obtain an extraction solution, and taking a supernatant I; (2) purification: mixing the supernatant I obtained in the step (1) with a purifying agent for purification, collecting a supernatant II, and filtering to obtain a to-be-detected liquid sample; (3) chromatography-mass spectrometry detection: separating pesticide residues in the to-be-detected sample solution by adopting gas chromatography, and then detecting by adopting Orbitrap-MS with an EI ion source so as to obtain the content of the pesticide residues in the animal-derived food. The method disclosed by the invention has the characteristics of high recovery rate, good precision, strong applicability, small organic reagent dosage and the like; various technical indexes can meet the requirements of daily detection and analysis of various animal-derived foods, and important technical support is provided for the field of food safety.

The invention discloses a method for rapidly screening perfluorinated compounds and precusor substances thereof in fish meat, and belongs to the technical field of aquatic product detection. According to the method, a pass-type Oasis PRiME HLB solid-phase extraction and purification strategy is adopted, a sample pretreatment process is simplified, impurity interference components such as fat and phospholipids in a sample matrix are removed, and simultaneous extraction of multiple perfluorinated compounds and precusor substances thereof is achieved; meanwhile, the advantages of a liquid chromatography-quadrupole rod / electrostatic field orbitrap high resolution mass spectrum are utilized, the qualitative capacity for a complex matrix is enhanced by obtaining the accurate mass number and rich fragment ion information, the quantifying effect of the high resolution mass spectrum is improved, high-throughput qualitative screening for simultaneously determining 18 PFCs and 21 precusor substances through single injected sampling is achieved, and a high-sensitive quantitative result is obtained.

The invention relates to a method of detecting aflatoxin and pesticide residues in a peanut, in particular to a method of determining aflatoxin and pesticide residues in a peanut by ultra performanceliquid chromatography-quadrupole / high resolution mass spectrometry, which belongs to the field of analytical chemistry. A method of determining four kinds of aflatoxin and eleven kinds of pesticide residues in a peanut by ultra performance liquid chromatography-quadrupole / high resolution mass spectrometry adopts high performance liquid chromatography-quadrupole-electrostatic field orbitrap high resolution mass spectrometry to determine aflatoxin and pesticide residues in a peanut, a sample is extracted through an acetic acid-acetonitrile-water extract and is purified through a PSA and C18 silica gel mixed system, an aqueous solution containing 0.1% of formic acid and methanol are used in a positive ion mode to perform gradient elution on a mobile phase, and high resolution mass spectrometry qualitative and quantitative detection is carried out. The method is accurate, efficient and reproducible, and can simultaneously determine four kinds of aflatoxin and eleven kinds of pesticide residues in a peanut.

A method is disclosed for data-dependent neutral loss analysis of biomolecules and other materials in a hybrid mass spectrometer. Candidate product ions are selected by identifying peaks in a MS / MS spectrum acquired in a first mass analyzer that exhibit a specified nominal neutral loss value, which may be representative of the mass of a peptide modification, such as phosphate. High mass accuracy MS and MS / MS spectra acquired at a second mass analyzer, such as an FTICR or Orbitrap, are processed to determine if the mass difference between a candidate product ion and its corresponding precursor matches an accurate neutral loss value. In one embodiment, MS3 analysis is performed only on the candidate product ions that satisfy the accurate mass neutral loss value test.

The invention discloses an ultrahigh performance liquid chromatography-quadrupole electrostatic field orbit ion trap mass spectrometry screening method of pigment in wine and belongs to the technical field of food safety detection. The method includes: applying ultrahigh performance liquid chromatography-quadrupole electrostatic field orbit ion trap mass spectrometry (Q-Orbitrap) for screening, and adopting electric spraying ion source and full-scanning / data dependence collection, full-scanning / variable data independence collection and full-scanning / full ion breaking collection scanning modes to acquire complete primary and secondary spectra; applying Exact Finder 2.5 software to process the acquired primary and secondary spectra, and extracting chemical information; comparing information in a built spectrum bank with information of a detected object screening result to confirm composition of the pigment in the wine. A mass spectrometer used in the method mainly has the advantages of high resolution, accurate qualitative and quantitative results, high sensitivityy and high mass accuracy and can be applied to analysis of complex matrixes. The method can also be applied in screening pigment in other food and has good application prospect in the field of food.

The invention relates to a method for identifying the variety of honey by use of a non-target metabonomics technology. The method is characterized in that through a simple sample pre-treatment process, then lots of high-resolution mass spectrometric data are acquired through an ultra-high performance liquid chromatography-quadrupole / electrostatic field orbitrap high-resolution mass spectrometry method, interference caused by deviation and variation in experimental data through background deduction, chromatographic peak extraction, normalization, data conversion and data scaling, and after that, a real feature marker capable of distinguishing the variety of honey can be discovered and confirmed through principal component analysis, t-checkout, volcano plots and variable importance projection drawings. When the feature marker is utilized to identify the quality of honey, the identification results are objective and accurate. The method is used for not only source-tracing identification of the variety of honey but also variety source tracing and origin tracing identification of other agricultural products.

The invention discloses an analytical method for identifying Chinese date honey and syrup-adulterated with fake Chinese date honey, and particularly relates to a method by applying the ultra-high performance liquid chromatography-quadrupole rod-orbitrap high resolution mass spectrum technique combining metabonomics. The method comprises the steps that firstly, a true Chinese date honey sample and a syrup-adulterated with fake Chinese date honey sample to be detected are pretreated by organic solvent respectively, separation and determination of chemical components in the pretreated samples are achieved by applying an ultra-high performance liquid chromatography-quadrupole rod-orbitrap high resolution mass spectrometry method, then obtained UHPLC-MS original data of the true Chinese date honey sample and the Chinese date honey sample to be detected is preprocessed, and finally true Chinese date honey and syrup-adulterated with fake Chinese date honey are distinguished by applying principal component analysis of a multivariate statistical analysis method. According to the analytical method, after metabolin information of Chinese date honey and syrup-adulterated with fake Chinese date honey is obtained comprehensively, combined with multivariate statistical analysis, Chinese date honey and syrup-adulterated with fake Chinese date honey are analyzed comprehensively, and the detection of syrup-adulterated with fake Chinese date honey is completed.

The invention discloses a method for simultaneously detecting seven fungal toxins in original auxiliary materials of baijiu. According to the method, an improved QuEChERS method is adopted for extraction, further purification is not needed, high performance liquid chromatography is utilized for achieving separation of the fungal toxins, combined quadrupole-electrostatic field orbitrap mass spectrometry (Q-Orbitrab) is achieved, efficient parent ion selectivity and high-resolution accurate molecular weight (The mass number can be accurate to five digits after the decimal point.) are combined, accurate qualitativeness and quantification of the fungal toxins in baijiu and the original auxiliary materials can be achieved, and quantification is conducted through a matrix external standard method. The fungal toxins can be completely and effectively separated within 9 min, the linear relation of the fungal toxins within separate linear response ranges is good, the correlation coefficient R<2> is larger than 0.999, the lowest limit of quantification is lower than 1.0 microgram / L, the lowest detection limit is lower than 0.1 microgram / L, the recovery rate ranges from 70% to 120%, and the relative standard deviation (RSD) ranges from 0.5% to 4%. Compared with the national standard method, the method has the advantages of being rapid, simple, convenient, economical, efficient, safe and the like and can be suitable for separation and quantitative determination of various fungal toxins in baijiu and original auxiliary material samples.

The present invention discloses a method for rapidly detecting pyrazine substances in Baijiu through liquid chromatography-mass spectrometry. The method specifically comprises: diluting a wine sample to be detected with ultrapure water, filtering, separating pyrazine substances through high performance liquid chromatography, detecting the separated pyrazine substances through a mass spectrometer having a quadrupole-electrostatic field orbitrap mass analyzer, and carrying out qualitative and quantitative analysis on the pyrazine substances in the Baijiu by using an external standard method. According to the present invention, the disadvantages of tedious pre-treatment steps, long analysis time, insufficient extraction, high quantification limit and the like of the existing detection technology are overcome, and the method of the present invention has advantages of simple pre-treatment operation, short analysis time, no sample loss, low detection limit, high recovery rate, good stability and the like, and is suitable for detection and analysis of pyrazine substances in various flavor Baijiu.

The invention discloses a detection method for rapidly screening various pesticides and biotoxins in an aquatic product. The detection method comprises the following steps: (1) preparing a standard solution; (2) carrying out QuEChERS extraction and purification of a sample; (3) carrying out concentration; and (4) carrying out analyzing by an ultra-high performance liquid chromatography high-resolution mass spectrometer. QuEChERS is used for pretreating the aquatic product, meanwhile, ultrahigh performance liquid chromatography quadrupole / electrostatic field orbitrap mass spectrometry (UPLC-Q Exactive Orbitrap HRMS is combined to conduct high-throughput measurement on 93 kinds of pesticide and 16 kinds of biotoxin residues in the aquatic product, and the method is sensitive, rapid, simple,accurate, time-saving, stable, high in practicability and capable of meeting the detection requirements of the current market.

Disclosed is an electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap. The electronic ID database includes a collection of various pesticides compound electronic ID information, intelligent matching values and collision energies. It is ordered according to the retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, adduct ions information, fragment ions information, collision energies, and the optimal full scan mass spectrum. The detection method includes sample pre-treatment, setting LC-Q-Orbitrap operating conditions and sample pesticide residue screening. Setting LC-Q-Orbitrap operating conditions contain setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find pesticide compounds electronic ID database. If matching, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is same, the result is recorded and displayed, and the screening is completed.

The invention discloses a detection method used for rapid identification of paris polyphylla var. yunnanensis saponin composition, and applications thereof. The detection method, which is used for rapid identification of unknown paris polyphylla var. yunnanensis saponin compounds by liquid chromatography / high-resolution mass spectrometry, comprises following steps: quadrupole-electrostatic field orbitrap high resolution mass spectrum is used for detection; the pyrolysis laws of known paris polyphylla var. yunnanensis saponin compounds are analyzed; tandem mass spectrometry fragments are obtained by high-energy collisions induced dissociation (HCD); and more fragments with lower weight which are quite helpful for structural analysis of compounds are obtained by conventional collision induced dissociation (CID). It is found that paris polyphylla var. yunnanensis comprises 17 saponin compounds, wherein 3 new steroidal saponins are reported for the first time, and 5 saponin compounds are newly discovered compounds of paris polyphylla var. yunnanensis saponin.

The invention discloses an analysis method of identifying black locust honey and syrup adulterated black locust honey, and particularly relates to a method of combining an ultra-high performance liquid chromatography-quadrupole rod-orbitrap high resolution mass spectrum technique and metabonomics. The analysis method comprises the following steps: respectively pre-processing a genuine black locust honey sample and syrup adulterated black locust honey to be detected by adopting an organic solvent, realizing the separation and determination of chemical components of the preprocessed sample by applying an ultra-high performance liquid chromatography-quadrupole rod-orbitrap high resolution mass spectrum method, then preprocessing the obtained UHPLC-MS original data of the genuine black locust honey sample and the black locust honey sample to be detected, and finally analyzing main components by using a multivariate statistical analysis method so as to identify the black locust honey and the syrup adulterated black locust honey. The analysis method has the beneficial effects that the black locust honey and the syrup adulterated black locust honey are comprehensively analyzed by multivariate statistical analysis after the information of metabolites of the black locust honey and the syrup adulterated black locust honey are comprehensively obtained, thereby completing the detection of the syrup adulterated black locust honey.

The invention discloses a screening method for chemical risky substances of glucocorticoid in wash supplies. The method comprises the following steps: (1) establishing a precise quality database and a mass spectrum library of to-be-tested compounds; (2) pre-treatment and detection of an actual sample: performing pre-treatment steps of extraction, centrifugalization, purification, filtration and the like on a sample of the wash supplies, and performing ultrahigh pressure liquid chromatogram-quadrupole rod-electrostatic field orbitrap high resolution mass spectrum analysis and detection; and (3) comparing and analyzing the test result obtained in the step (2) with the precise quality database and the mass spectrum library established in the step (1) to screen the chemical risky substances of glucocorticoid in wash supplies. The screening method for chemical risky substances of glucocorticoid in wash supplies disclosed by the invention is high in accuracy, high in specificity and high in sensitivity, and is suitable for daily detection and quality control of the wash supplies.

The invention provides a method for detecting allergens in cosmetics. The method comprises the steps of preparing a mixed standard solution of 56 allergen substances by a mixed solution of methanol and a 2g / L ascorbic acid aqueous solution, wherein single standard solutions are independently prepared for seven groups of isomers such as eugenol, isoeugenol and the like; carrying out mass spectrometry analysis in modes of positive-negative ion primary mass spectrometry full scanning and data-dependent secondary mass spectrometry scanning of a high-resolution mass spectrum of an electrostatic field orbitrap; collecting an accurate mass number of primary parent ions, retention time and secondary fragment ion information to establish a high-resolution mass spectrum database; carrying out mass spectrometry analysis on a to-be-detected sample by adopting extraction of the mixed solution of the methanol and the 2g 2g / L ascorbic acid aqueous solution; by utilizing the database, establishing screening and quantitative analysis methods by using Tracerfinder software; and detecting the allergen substances in the sample. The method is rapid, high in sensitivity and high in specificity.

The invention discloses a method for rapidly screening highly-concerned chemicals in surface water and soil. The method comprises the steps of screening a highly-concerned chemical list, grouping substances, optimizing mass spectrum conditions and chromatographic conditions, constructing a mass spectrum library and rapidly screening the highly-concerned chemicals. According to the method, samplesin surface water and soil are rapidly screened by adopting ultra-high performance liquid chromatography-quadrupole rod / electrostatic field orbitrap high-resolution mass spectrum, and based on accuratemass number, retention time, characteristic fragments and isotope distribution proportion, the samples are searched and matched with a mass spectrum library of highly-concerned chemicals for rapid qualitative analysis. A screening result can be obtained within 70min, the sample detection and treatment time is greatly shortened, the detection efficiency is improved, and technical support is provided for risk assessment and risk management of highly-concerned chemicals.

The invention discloses an ultra-high performance liquid chromatography-quadrupole static electric field orbitrap mass spectrometry screening method for mycotoxin in milk and dairy products. The method is characterized in that a sample is pre-treated by an optimized QuEChERS method; a ultra-high performance liquid chromatography-quadrupole static electric field orbitrap mass spectrometry is used for screening, full-scanning / data-independent collection, full-scanning / variable data non-independent collection, and full-scanning / ion fragmentation collection scanning mode is employed, a positive ion or negative ion mode is selected for scanning to obtain complete first-order and second-order spectrums; Exact Finder 2.5 software is used for processing the obtained first-order and second-order spectrums, and the compound information is extracted. Compared the information in spectrum database and the screening result of the to-be-measured objects, composition of mycotoxin in the milk and dairy products can be confirmed. The mass spectrum apparatus has the advantages of high resolution, accurate qualitative and quantification result, high sensitivity, and high quality precision, and can be used for analyzing the complex matrix.

The invention discloses an efficient detection method for illegally added medicines in bean sprouts. The efficient detection method comprises the following steps: (1) preparation of a standard solution; (2) processing of a to-be-tested sample; (3) online solid-phase extraction; and (4) high performance liquid chromatography-static electric field orbitrap high resolution mass spectrum determination. According to the efficient detection method, an efficient and high-repeatability online solid-phase extraction method is combined with high performance liquid chromatography cascaded static electric field orbitrap high resolution mass spectrum to determine the illegally added medicines in the bean sprouts, so that the qualitative and quantitative determination of the illegally added medicines in the sample can be realized, and the detection result is sensitive and reliable. By virtue of the method, the pretreatment process of the sample is rapid, simple and convenient, so that the working efficiency is improved; by selecting a proper extracting solvent, a cleaning agent, an eluent and proper mass spectrometric detection parameters according to the properties of the illegally added medicines in the bean sprouts, the detection accuracy and reliability are improved. The method is high in automation degree, so that errors caused by manual operation can be effectively avoided.

The invention discloses a mass spectrometry identification method for salmo salar and rainbow trout. The method includes the following steps: a) obtaining the amino acid sequence of salmo salar; b) obtaining the amino acid sequence of rainbow trout; c) utilizing a specific enzymatic method to cut to-be-detected protein into a small molecular weight polypeptide fragment mixture, utilizing an electrostatic field orbitrap high resolution mass spectrometry full scan mode to detect the molecular weight and fragment information of polypeptide in the mixture, performing comparison with an amino acidsequence obtained before, and qualitatively judging whether the characteristic peptide fragments of the salmo salar and rainbow trout exist; and d) selecting the characteristic peptide fragment determined as the salmo salar or the rainbow trout, and utilizing tandem quadrupole mass spectrometry to establish a multi-reaction monitoring method to perform quantitative analysis. Identification can beperformed by utilizing the protein characteristic peptide fragments, so that the qualitative identification and adulteration quantification of the salmo salar and rainbow trout can be simultaneously realized; and minimum detection limit can reach 1%, so that the method is high in sensitivity, high in accuracy and strong in anti-interference ability, and can be widely applied to the identificationof the salmo salar.