387results about "Specific reaction combinations" patented technology

To obtain more information with one mass analysis.SOLUTION: A control unit performs mass analysis of the sample components while switching the analysis mode between a first analysis mode in which ions are detected under a first polarity mode and a multimode, and a second analysis mode in which ions are detected under a second polarity mode and a single mode.SELECTED DRAWING: Figure 4

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.

A method of calibrating a mass spectrometer 10 is provided. The method comprises generating calibration ions from an ion source 20. The calibration ions are transported from the ion source 20 to a mas

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.

A method for analyzing spectra comprises identifying a set of sample peaks in a sample spectrum, where the sample peaks are associated with fragments of a sample, each having a sample fragment mass. A reference spectrum is selected with one or more reference peaks corresponding to fragments of a reference, each having a reference fragment mass. A mass difference can be determined between selected sample and reference peaks, and a group exchange can be selected based on the mass difference; e.g., where the group exchange represents a change in the sample or reference fragment masses associated with the selected peaks. The selected peaks can be shifted by the mass difference, and a fit value can be determined with respect to the reference spectrum. The fit value characterizes similarity between the respective sets of sample and reference peaks, responsive to the group exchange and corresponding peak shift.

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.

Various embodiments relate to the reduction of chemical noise at or near the mass of an analyte of interest prior to selection by a mass filter. The use of a narrow bandpass in the ion optics removes chemical noise that can repopulate ions at or near the mass of an analyte of interest by removing other chemical noise ions that can fragment into the same or similar mass as the mass of an analyte of interest through collision induced dissociation.

Systems and methods are disclosed for performing a DDA mass spectrometry experiment. A precursor ion survey scan of a mass range is performed to generate a precursor ion peak list. A series of steps are performed for each precursor ion peak of the peak list. A peak mass range including the precursor ion peak is selected. A precursor ion mass selection window with a width smaller than the peak mass range is canned across the peak mass range in overlapping steps, producing a series of overlapping windows across the peak mass range. Each overlapping precursor ion mass selection window of the series is fragmented. Product ions produced from each overlapping precursor ion mass selection window of the series are mass analyzed, producing a product ion spectrum for each overlapping precursor ion mass selection window of the series and a plurality of product ion spectra for the peak.

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.

Method and system of mass spectrometry is provided. The method comprises performing a first and a second MS1 scans on precursor ions produced by ionising a sample. The first MS1 scan comprises mass analysing a first set of the precursor ions transported to a mass analyser using an ion transport device operated at a first setting. The second MS1 scan comprises mass analysing a second set of the precursor ions transported to a mass analyser using the ion transport device operated at a second setting. Energies imparted on the precursor ions by the ion transport device are different in the first and second settings. Based on intensities of mass spectral peaks of the first and second MS1 scans, a mass spectral peak in at least one of the first MS1 scan or the second MS1 scan indicative of a precursor ion mass spectral peak is determined.

A mass or mobility spectrometer comprising: a first vacuum chamber; and a collision cell arranged in the first vacuum chamber, wherein the collision cell comprises: an ion entrance at an upstream end thereof; an ion exit at a downstream end thereof; a main body portion between the ion entrance and ion exit; and an elongated tube between the main body portion and the ion exit. The collision cell comprises one or more ion guide extending through the main body portion, and / or through the elongated tube, for radially confining ions within the one or more ion guide. The spectrometer is configured to maintain the main body portion of the collision cell at a higher pressure than the first vacuum chamber; and the elongated tube is configured to limit the gas conductance out of the downstream end of the collision cell.

A method of operating an analytical instrument comprises ionising a sample to produce sample ions; (i) performing a first ion separation scan by separating sample ions according to a first physico-chemical property, and analysing the separated sample ions by performing one or more MS1 mass analysis scans; and (ii) performing a second ion separation scan by separating sample ions according to the first physico-chemical property, and analysing the separated sample ions by performing a plurality of MS2 mass analysis scans. Each MS2 scan of the plurality of MS2 mass analysis scans uses one MS2 isolation window of a plurality of MS2 isolation windows. The method further comprises analysing MS1 data acquired from the one or more MS1 mass analysis scan(s), and configuring the plurality of MS2 isolation windows based on the analysis of the MS1 data.

Methods and systems for mass spectrometry are disclosed. In one example, a method comprises: receiving, by a mass spectrometer via a sampling system operably connected thereto, at least one sample containing at least one known compound; modulat-ing at least one instrument parameter of the mass spectrometer through a plurality of instrument parameter values; analyzing the at least one sample while applying each of the plurality of instrument parameter values; acquiring a plurality of mass spectral (MS) datasets each corresponding to one of the applied plurality of instrument parameter values; encoding each of the plurality of MS datasets to generate a corresponding plurality of MS results each corresponding to one of the applied instrument parameter values; and compiling and storing the MS datasets and MS results in a spectral library in association with the applied instrument parameter values.

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 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.

A dual analyser mass spectrometer obtains MS1 / MS2 scans of positive and negative ions by: operating an ion source and processing region at a first polarity; performing, by a first mass analyser (FMA) at the first polarity, MS1 or MS2 scan(s); switching polarity of the FMA to a second polarity; performing, by a second mass analyser (SMA) at the first polarity, MS1 or MS2 scan(s), wherein at least part of the MS1 or MS2 scan(s) performed by the SMA is performed while the FMA is switching polarity. Alternatively, the FMA may be operated at a first polarity and the SMA at a second polarity opposite to the first, and after initiating at least one MS1 scan and / or MS2 scan by the FMA, switching the polarity of the source and ion processing region to a second polarity and performing at least one MS1 scan and / or MS2 scan with the SMA.

Systems and methods are disclosed for dynamically switching an ion guide and a TOF mass analyzer between concentrating or not concentrating ions in a targeted acquisition. Product ions are ejected from the ion guide into the TOF mass analyzer and the intensity of a known product ion is measured at two or more time steps. The ion guide initially ejects product ions using a sequential or Zeno pulsing mode that concentrates product ions with different m / z values within the TOF mass analyzer at the same time. If the intensity of the product ion is increasing and greater than a threshold intensity, the ion guide switches to a continuous or normal pulsing mode that does not concentrate ions with different m / z values in the TOF mass analyzer at the same time. Similarly, if the intensity decreases below a threshold in continuous mode, the ion guide switches back to sequential mode.

Methods and system that determines disulfide and trisulfide linkages within analytes (e.g., polypeptides) is described. In certain aspects. a sample comprising polypeptides (such as an antibody) may be subjected to dissociation using an electron activated dissociation (which can include electron capture dissociation and electron transfer dissociation) and the fragmentated portions are analyzed using a mass spectrometer to produce a spectrum. The spectrum is analyzed by a processor to identify peaks from the spectrum that are related to one another in the spectra by a separation of 32 mass units. In identifying an antibody comprising peptide segments linked via a trisulfide bond. for example, four different peaks representing two different peptides are searched for and identified representing a first peptide portion having mass / charge of A and A+32 and a second peptide having mass / charge of B and B+32.

Disclosed are methods of mass spectrometry that use charge reduction techniques to reduce the average charge of the ions to increase the mass to charge ratio spacings between different charge states for the ion species prior to mass analysis. In embodiments there is disclosed a method for determining a collision cross section for an ion species, wherein an ion mobility is determined for an ion species in a first state without charge reduction and the mass to charge ratios for the ion species are then measured in a second, charge-reduced state. The average charge determined for the ion species in the first state is then used together with the average mass determined from the ion species in the second state and the ion mobility determined for the ion species in the first state to determine a collision cross section for the ion species in the first state.

Systems and methods are disclosed for dynamically switching an ion guide and a TOF mass analyzer between concentrating or not concentrating ions in a targeted acquisition. Product ions are ejected from the ion guide into the TOF mass analyzer and the intensity of a known product ion is measured at two or more time steps. The ion guide initially ejects product ions using a sequential or Zeno pulsing mode that concentrates product ions with different m / z values within the TOF mass analyzer at the same time. If the intensity of the product ion is increasing and greater than a threshold intensity, the ion guide switches to a continuous or normal pulsing mode that does not concentrate ions with different m / z values in the TOF mass analyzer at the same time. Similarly, if the intensity decreases below a threshold in continuous mode, the ion guide switches back to sequential mode.

The invention relates to a method for reconstructing a mass spectrum, the method comprising the following steps: - acquiring (1010) a plurality of mass spectra measured on an ionised sample; - determining (1020) a plurality of series of abundance values for the ionised sample; - arranging (1030) series of abundance values in pairs comprising a first series and a second series; - for each pair, calculating (1040) a match score between the first series and the second series in order to provide a match score map between all the pairs of the series; - determining (1060), according to a mass-to-charge ratio, at least one precursor ion and fragment ions that are associated with each precursor ion by applying a clustering method to the score map; - reconstructing (1070) a mass spectrum for each precursor ion and for each of the associated fragment ions using the match score map.

A method for dissociating an oligonucleotide is disclosed. A plurality of precursor ions of one or more oligonucleotides is loaded into an ion trap. Negative radical-induced dissociation is applied to the plurality of precursor ions in the ion trap during a first time period, producing charge-reduced ions. Resonant CID is applied in the ion trap during a second time period to dissociate the charge-reduced ions. A pause without any dissociation in the ion trap is performed during a third time period to cool ions produced from the previous resonant CID or again negative radical-induced dissociation is applied in the ion trap during the third time period to again produce charge-reduced ions from the plurality of precursor ions while at a same time allowing ions produced from the previous resonant CID to be cooled. The last two steps are repeated one or more times.

A data-dependent analysis (DDA) mass spectrometry technique involves ionizing a sample to generate sample ions, analyzing the sample ions by performing one or more MS1 mass analysis scans to obtain MS1 ​​data, identifying one or more precursor ions from the MS1 data, and subsequently analyzing the sample ions by performing one or more MS2 mass analysis scans. Each MS2 scan targets one of the one or more precursor ions identified from the MS1 data.The procedure further includes, for each of the one or more precursor ions identified from the MS1 data: determining a value from the MS1 data that is indicative of a collision cross section (CCS) of that precursor ion; and selecting, based on the CCS-indicative value(s), which precursor ion(s) the one or more MS2 bulk analysis scans should target, and / or determining, based on the CCS-indicative value(s), an order in which the one or more MS2 bulk analysis scans should target the precursor ions.

Methods for mass spectrometry, which include the following: Predictions of one or more first reaction products that may result from subjecting an analyte to one or more reactions of interest, Calculating one or more first masses or mass / charge ratios and one or more first ion mobility values, collision cross sections or interaction cross sections of at least some first reaction products that can be generated under first conditions using the one or more first reaction products, Calculating one or more second masses or mass / charge ratios and one or more second ion mobility values, collision cross sections or interaction cross sections of at least some second reaction products that can be generated under two different conditions using one or more first reaction products, Generating third ions from a sample and experimentally determining one or more third masses or mass / charge ratios and one or more third ion mobility values, collision cross sections or interaction cross sections of at least some of the third ions under the first conditions, Generating fourth ions from the sample and experimentally determining one or more fourth masses or mass / charge ratios and one or more fourth ion mobility values, collision cross sections or interaction cross sections of at least some of the fourth ions under the second conditions, and Comparing the first and second masses or mass / charge ratios with the third and fourth masses or mass / charge ratios and / or comparing the first and second ion mobility values, collision cross sections or interaction cross sections with the third and fourth ion mobility values, collision cross sections or interaction cross sections to confirm the presence and / or absence of one or more first reaction products in the sample.

The present invention provides a quality analysis device, an evaluation and calibration method thereof, an analysis method, and a reagent. The evaluation method of the quality analysis device includes: performing quality analysis on an ester of phthalic acid using the quality analysis device to detect a plurality of ions generated by dissociation of the ester of phthalic acid; and obtaining information on whether the quality analysis device is in a state suitable for analysis based on the intensity ratio of the plurality of detected ions.

Methods for mass spectrometry, which include the following: Calculating an ion mobility value, collision cross-section, or interaction cross-section of a number of different analytes generated from one or more analytes of interest under one or more different analytical conditions, wherein the one or more analytical conditions comprise one or more conditions for generating the number of different analytes from the one or more analytes of interest; and Setting one or more operating parameters of a mass spectrometer in response to the calculated ion mobility values, collision cross sections or interaction cross sections to maximize or improve subsequent ion mobility separation of a number of different analyte ions, wherein the step of setting the one or more operating parameters of the mass spectrometer comprises: Selecting one or more of the one or more distinct analytical conditions based on the calculated ion mobility values, collision cross sections, or interaction cross sections to maximize or improve the subsequent ion mobility separation of the number of different analyte ions; and Setting one or more operating parameters of the mass spectrometer to generate one or more selected analytical conditions.

A plurality of measurement intervals (Sa1 to Sa5) are set on a retention time axis based on a plurality of compound peak observation periods. A start time and a completion time of each measurement interval (Sa1 to Sa5) are corrected so as to prevent occurrence of a blank period (remainder time) (r1 to r5) between two measurement intervals which are timewise adjacent to each other, to thereby determine an actual start time and an actual completion time of each measurement interval (Sb1 to Sb5) after correction. Specifically, the actual start time of an ith cycle measurement interval is made to coincide with the actual completion time of an (i-1)th cycle measurement interval.

Before each sample of a series of batch samples is introduced into a liquid sample delivery device, an ion source device receives aqueous mobile phase solution from the liquid sample delivery device and ionizes its compounds, producing an ion beam. A tandem mass spectrometer performs a neutral loss or precursor ion scan on the ion beam to measure intensities of two or more precursor ions corresponding to a known aqueous mobile phase solution compound. Intensity measurements for each of the two or more different precursor ions are compared to previously stored intensities to determine the threshold times at which these measurements indicate orifice contamination. A threshold time is then predicted for a known compound of interest of the batch samples based on the m / z value of the known compound of interest and the m / z value and the threshold time of each of the two or more different precursor ions.

A charge detection mass spectrometer (CDMS) comprises an electrostatic sector field ion trap 40, an inductive image charge detector 400 and a fragmentation device. The electrostatic sector field ion t

To provide a method of operating a dual analyzer mass spectrometer to obtain MS1 scans / MS2 scans of positive and negative ions from a sample.SOLUTION: The method comprises: operating an ion source and a processing region at a first polarity; performing MS1 or MS2 scan(s) by a first mass analyzer at the first polarity; switching the polarity of the first mass analyzer to a second polarity; and performing MS1 or MS2 scans by a second mass analyzer at the first polarity, where at least part of the MS1 or MS2 scans performed by the second mass analyzer are performed during a deadtime in which the first mass analyzer is switching the polarity.SELECTED DRAWING: Figure 2