204results 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

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.

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.

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.

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.

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.

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.

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

There is provided a data dependent acquisition (DDA) method of mass spectrometry using a dual analyser mass spectrometer. The method comprises: performing, by a first mass analyser, an MS1 scan of the

To provide a favorable method regarding scanning SWATH data.SOLUTION: A precursor ion transmission window is moved in overlapping steps across a precursor ion mass range. The precursor ions transmitted at each overlapping step by the mass filter are fragmented or transmitted. The intensity or count is detected for each of the one or more resulting product ions or precursor ions for each overlapping window, and the intensity or count forms mass spectrum data for each overlapping window. Each unique product ion detected is encoded in real time during data acquisition. This encoding includes sums of counts or intensity values of respective unique ions detected for the overlapping windows and positions of the windows associated with the respective sums. The encoding for each unique ion is stored in a memory device rather than the mass spectral data. A deblurring algorithm or numerical method is used to determine a precursor ion of each unique ion from the encoded data.SELECTED DRAWING: Figure 2

This invention provides a system or technique for searching the loop spectrum of residual ions. [Solution] In various embodiments, the scientific instrument may be equipped with a mass spectrometer. In various embodiments, the scientific instrument may annotate one or more ion peaks of a fragmentation spectrum. In various embodiments, the scientific instrument may remove one or more annotated ion peaks from a fragmentation spectrum, resubmit the fragmentation spectrum for annotation, and annotate one or more of the remaining ion peaks.

A device for processing mass spectrometry data (40) includes: a storage section (41) which holds information in which reagent-identifying information is related to the mass-to-charge ratio of an ion to be generated from the reagent; a display section (60); a mass-spectrum-data input receiver (42); a reagent-information input receiver (45) configured to receive an input of the reagent identification information of a reagent added to a sample; a peak locator (46) configured to compare the inputted reagent identification information with the information stored in the storage section, and to locate a peak associated with an ion generated from the reagent; and a display processor (47) configured to create a mass spectrum from the mass spectrum data, and to display, on the display section, the mass spectrum in such a manner that the peak located by the peak locator is shown in a form distinguishable from other peaks.

A separation device separates an unknown intact mAb or reduced mAb subunits of a known mAb class from a sample. An ion source device ionizes the mAb. A mass spectrometer fragments the ionized mAb using an ECD device and mass analyzes resulting product ions using a mass analyzer, producing one or more product ion spectra. Theoretical product ion peaks are calculated for one or more constant portions of the mAb class. The theoretical product ion peaks are removed from the one or more product ion spectra, producing one or more difference product ion spectra. De novo sequencing is applied to the one or more difference product ion spectra, producing one or more candidate sequences for one or more variable portions of the mAb. A genome database is searched for matches to the one or more candidate sequences, producing one or more matched sequences for the one or more variable portions.

A method of operating an instrument which comprises a first and second ion stores, comprising determining whether a target accumulation time for the second ion store is greater than a threshold accumulation time. When the target accumulation time is less than the threshold accumulation time, ions are accumulated within the second ion store using an accumulation time that is based on the target accumulation time. When the target accumulation time is greater than the threshold accumulation time, ions are accumulated within the first ion store using a first accumulation time, the ions accumulated in the first ion store are passed to the second ion store, and further ions are accumulated within the second ion store using a second accumulation time.

Ion guides comprise an inlet region for receiving a packet of ions; a first outlet region for ejecting ions; a second outlet region for ejecting ions; and a beam splitting electrode arranged to direct a first portion of the packet of ions towards the first outlet region and a second portion of the packet of ions towards the second outlet region.

A mass spectrometry system includes an RF device for laterally confining ions in an ion region using: (a) a first set of electrodes arranged parallel to each other along a direction of travel of the ions to define a first lateral boundary of the ion region, and to which a first RF voltage is applied such that opposite phases of the first RF voltage are applied to adjacent electrodes of the first set; (b) a second set of electrodes arranged parallel to each other in the direction of ion travel to define a second lateral boundary of the ion region, and to which a second RF voltage is applied such that opposite phases of the second RF voltage are applied to adjacent electrodes of the second set, the first and second lateral boundaries being opposite to each other in the lateral direction of the ion region, and the first and second RF voltages have different frequencies.

In one aspect, a method of performing mass spectrometry is disclosed, which comprises ionizing a plurality of oligonucleotides to generate a plurality of negatively charged oligonucleotide ions, and interacting a plurality of charged reagent ions with the negatively charged oligonucleotide ions to reduce the negative charge state of the negatively charged oligonucleotide ions.

In one aspect, a mass spectrometer is disclosed, which includes an ion source configured to receive a sample and ionize at least one analyte in the sample to generate a plurality of ions of that analyte, at least a first ion routing device having a first inlet for receiving at least a portion of the plurality of the analyte ions and at least a first and a second outlet through which a first and a second portion of the received analyte ions can exit the ion-routing device, respectively, and at least two charge reduction devices one of which is coupled via a first inlet thereof to the first outlet and the other is coupled via an inlet thereof to the second outlet of the ion routing device to receive the first and second portions of the ions exiting the ion routing device.

The present disclosure may broadly provide a method for analysing analytes of interest comprising: a) mixing a biomaterial containing a protein target, with one or more candidate compounds for binding to the biomaterials to obtain a sample comprising one or more biomaterial-candidate complexes, b) introducing the sample to a mass spectrometer by ionising the sample under conditions that retain the one or more biomaterial-candidate complex in their native state, c) separating the one or more biomaterial-candidate complex from unbound candidate compounds by selecting for ions having a high mass range using a mass analyser configured to capture the one or more biomaterial-candidate complexes and excluding unbound candidate compounds based on a difference in oscillation frequencies of their respective ions, d) dissociating the biomaterial-candidate complex using collisional dissociation to obtain one or more dissociated candidate compounds, and e) determining the dissociated candidate compound based on mass-to-charge ratio (m / z).

When a gas is supplied from a gas supply unit (19) to a collision cell (11) in detection of a first target ion, before detection of the first target ion, a controller (22) applies a voltage having a first adjustment voltage value to an electrode located on a downstream side of the collision cell (11) in an ion traveling direction, the first adjustment voltage value being obtained by adding an adjustment value to a first detection voltage value corresponding to the first target ion, and in detection of the first target ion, the controller (22) applies a voltage having the first detection voltage value to the electrode located on the downstream side of the collision cell (11) in the ion traveling direction. The adjustment value is a value indicating a polarity opposite to a polarity of the first target ion.

Ion-electron reaction device comprising: a first tubular magnet 2; a second tubular magnet 4 arranged coaxially with first tubular magnet; and a shim 10 located between the first and second tubular m