110results about "Specific reaction combinations" patented technology

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.

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 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.

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 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 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.

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

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. Intensities or counts are detected for each of the one or more resulting product ions or precursor ions for each overlapping window that form 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 intensities of each unique ion detected the overlapping windows and positions of the windows associated with each sum. 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.

A method of mass spectrometry comprising: a) accumulating precursor ions in a first ion accumulator; b) performing a separation cycle including pulsing packets of precursor ions from the first ion accumulator to an ion separator and separating the precursor ions such that precursor ions having different values ​​of a first physicochemical property elute from the ion separator at different times; c) mass filtering the precursor ions eluting from the ion separator to transmit selected precursor ion species; and d) fragmenting or reacting the selected precursor ion species to produce a set of fragment or product ion species from the selected precursor ion species. e) accumulating the set of fragment or product ion species in a second ion accumulator; f) ejecting the set of fragment or product ion species from the second ion accumulator into a TOP mass analyzer, where operation of the TOP mass analyzer is synchronized with the ejection of ions from the second ion accumulator such that a plurality of different species of the set of fragment or product ion species are simultaneously pulsed by a pusher electrode into a time-of-flight region of the TOP mass analyzer; and g) repeating steps c)-f) at least once during a separation cycle, where the selected precursor ion species is different each time steps c)-f) are performed.

A mass spectrometer includes an orifice plate having an orifice, a first multipole ion guide in a first chamber downstream of the orifice plate, the first multipole ion guide including a plurality of rods, and a second multipole ion guide in a second chamber downstream of the first chamber, the second multipole ion guide including a plurality of rods. A first ion lens is between the first multipole ion guide and the second multipole ion guide. A third multipole ion guide is in a third chamber downstream of the second chamber, the third multipole ion guide including a plurality of rods. A second ion lens is between the second chamber and the third chamber. An adjustable DC voltage source applies an adjustable DC offset voltage to at least one of the above ion guides and ion lenses to increase the axial kinetic energy of the ions to cause at least one of de-clustering and / or fragmentation.

Apparatus is provided and an IDA method is modified to detect and separately dissociate alkali-metal adducts of a compound. An ion source device ionizes one or more compounds of a sample, producing an ion beam. A mass filter selects a mass range of precursor ions from the ion beam, a mass analyzer measures intensities and m / z values of the precursor ions, and one or more of the precursor ions are selected for a peak list. For each pair of precursor ions of the peak list, if an m / z difference between the pair corresponds to an m / z difference between an alkali metal ion and another alkali metal ion or a proton, an ExD device is used to dissociate one precursor ion or both precursor ions of the pair using the processor. A CID device is used to dissociate all other precursor ions of the peak list.

To improve ion measurement sensitivity in an apparatus that supplies precursor ions of an analysis target substance and active particles to a reaction chamber to cause a reaction therebetween, thereby generating and analyzing product ions.SOLUTION: An ion analysis apparatus (1) includes: a reaction chamber (132) into which precursor ions generated from an analysis target substance are introduced; an electrode (1331) provided inside the reaction chamber; an active particle generation unit (4) that generates active particles from a predetermined type of material gas; an active particle introduction unit (75) that introduces the active particles generated by the active particle generation unit into the reaction chamber while the precursor ions are introduced into the reaction chamber; and a voltage application unit (5) that applies, to the electrode, a voltage that forms an electric field accelerating product ions generated by a reaction between the precursor ions and the active particles toward an outlet of the reaction chamber while the precursor ions and the active particles are introduced into the reaction chamber.SELECTED DRAWING: Figure 1

A method for determining a combined amount of β-tocopherol and γ-tocopherol in a sample by tandem mass spectrometry includes subjecting the sample to ionization under conditions suitable to produce one or more ions from the β-tocopherol and γ-tocopherol detectable by mass spectrometry; and determining the amount of one or more of said ions by tandem mass spectrometry, wherein tandem mass spectrometry comprises fragmenting β-tocopherol and γ-tocopherol ions having a mass to charge ratio of about 416.35±0.80 into one or more fragment ions comprising a fragment ion having a mass to charge ratio of about 151.00±0.80, wherein the amount of the one or more ions determined is related to the combined amount of β-tocopherol and γ-tocopherol in the sample.

A method for determining the presence of a perfluoro- or polyfluorochemical (PFC), such as a PFAS compound, in a sample is described. The method involves generating sample ions from the sample using electron impact ionization (El), direct laser ionization, or field desorption ionization, and mass-analyzing the sample ions using a mass analyzer to generate mass spectral data. The mass analyzer has a mass accuracy of approximately ≤ 100 ppm and a resolution of approximately ≥ 10,000. The method further includes determining whether an ion peak is present in the mass spectral data exhibiting an accurate mass-to-charge ratio within ± 100 ppm of a first accurate mass-to-charge ratio (m / z). The first accurate mass-to-charge ratio (m / z) is the exact mass-to-charge ratio of an ion that indicates the presence of a PFC in the sample.The procedure further includes determining whether a PFC is present in the sample if it is determined that an ion peak is present which has an accurate mass-to-charge ratio within ± 100 ppm of the first accurate mass-to-charge ratio m / z.

A mass spectrometry method comprises: choosing an RF drive frequency that best optimizes isolation of a precursor ion species of interest by a quadrupole mass filter (QMF); isolating the precursor ion species by passing ions through the QMF while the chosen RF drive frequency is applied thereto; fragmenting the precursor ion species, thereby generating a plurality of first-generation fragment ion species; returning the plurality of first-generation fragment ion species to an inlet end of the QMF; choosing a second quadrupole RF drive frequency that best optimizes isolation of a first-generation fragment ion species of interest by the QMF; isolating the first-generation fragment ion species of interest by passing the fragment ions through the QMF while the second chosen RF drive frequency is applied thereto; fragmenting the chosen first-generation fragment ion species of interest, thereby generating a plurality of second-generation fragment ion species; and mass analyzing the second-generation fragment ion species.

A method of operating an analytical instrument comprises ionising a sample to produce sample ions; performing a first ion separation scan by separating sample ions according to a first physico-chemica

To provide methods of mass spectrometry.SOLUTION: The method comprises, for each of multiple sub-ranges selected from an overall m / z range: accumulating in an ion storage a sample of precursor ions to be analyzed, the precursor ions having m / z values within the sub-range; accumulating in the ion storage a sample of fragmented precursor ions to be analyzed, the fragmented precursor ions being formed from fragmentation of the precursor ions having m / z values within the sub-range; and simultaneously analyzing the combined samples of the precursor ions and the fragmented precursor ions in a mass analyzer.SELECTED DRAWING: Figure 1

Improved methods and kits are provided for non-invasively assessing patient liver function, including rapid and efficient processing, detection, and quantification of identifiable compounds from patient blood or serum samples. [Solution] A method is provided for estimating the risk of experiencing a clinical event in one year for individual patients with chronic liver disease. A method is also provided for determining liver reserve function in the subjects.

Apparatus and method are proposed for the strong improvement of dynamic range (DR) of detectors and of data systems for time- of-f light mass spectrometers (TOF MS) with periodically repetitive signals. TOF separated ions are converted into secondary particles, primarily electrons, and the flow of secondary particles is controllably attenuated to sustain the data acquisition system in a counting mode above the electronic noise threshold. The acquisition time is split between at least two time segments, characterized by alternated transmission efficiency SE of secondary particles. Using strong electron suppression (SE«1) is employed for recording intense ion peak, while counting ions with either ADC, or TDC, or ADC with extracting peak centroids. A longer time segment employs an efficient electron transfer (SE=1) for detecting weak ion species. In another independent aspect, an ion-optical element is provided upstream of the ion detector and is configured to deflect, reflect or retard ions such that ions that have been scattered or fragmented in the time of flight region do not impact on the ion detector.

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.

Mass spectrometers and methods for analyzing a sample using a mass spectrometer are provided. The method includes applying a scan function to the ion trap including exciting at least a portion of the ions in the ion trap electively over time to fragment precursor ions into product ions and ejecting at least one of the product ions and the precursor ions from the ion trap. The mass spectrometer includes an ion trap and a controller configured to apply a scan function to the ion trap.

A method for determining a combined amount of β-tocopherol and γ-tocopherol in a sample by tandem mass spectrometry includes subjecting the sample to ionization under conditions suitable to produce one or more ions from the β-tocopherol and γ-tocopherol detectable by mass spectrometry; and determining the amount of one or more of the ions by tandem mass spectrometry. Tandem mass spectrometry methods of this disclosure involve fragmenting β-tocopherol and γ-tocopherol ions having a mass to charge ratio of about 416.35±0.80 into one or more fragment ions including a fragment ion having a mass to charge ratio of about 151.00±0.80, wherein the amount of the one or more ions determined is related to the combined amount of β-tocopherol and γ-tocopherol in the sample.

An ion mobility spectrometry method is described comprising: providing a sample; generating molecular ions from the sample; separating the molecular ions according to their mobility characteristics; fragmenting at least some of the separated molecular ions to form sub-molecular fragment ions in a fragmentation zone; separating at least some of the fragment ions according to their mobility characteristics; wherein the separation and fragmentation steps are performed at a pressure of at least 50 mbar; detecting at least some of the separated fragment ions; and identifying at least one molecular ion based on its mobility characteristics and / or the mobility characteristics of at least one detected fragment ion.