236results about "Spectrometer combinations" patented technology

Methods for identifying a chemical structure of a compound based on mass spectrometry (MS) data using one or more computing devices are disclosed. The methods include receiving mass spectrometry (MS) data that includes a plurality of mass-to-charge values associated with fragments obtained from mass spectrometry performed on the compound, inputting the plurality of mass-to-charge values into a tokenizer trained to generate a plurality of tokens based on the plurality of mass-to-charge values, and determining one or more chemical structures of the compound based at least in part on the plurality of tokens.

A charge detection mass spectrometer includes an ion trap configured to store ions therein and to release stored ions therefrom, and an electrostatic linear ion trap (ELIT) array, in the form of at least two ELITs or ELIT regions each spaced apart from the ion trap, each ELIT or ELIT region including first and second ion mirrors and a charge detection cylinder positioned therebetween. The ion trap is controlled to release at least some of the stored ions to travel toward and into each of the ELITs or ELIT regions, and the first and second ion mirrors of each of the ELITs or ELIT regions is controlled in a manner which traps one or more ions traveling therein and causes the trapped ion(s) to oscillate back and forth between the first and second ion mirrors each time passing through and inducing a corresponding charge on the charge detection cylinder.

The invention relates to data independent acquisition with parallel isolation multiplexing. The system may control a mass spectrometer to acquire a set of mass spectra of product ions derived from precursor ions isolated based on parallel isolation windows continuously positioned throughout the precursor mass-to-charge ratio (m / z) range during a plurality of acquisitions constituting an acquisition cycle. The precursor m / z range is divided into a plurality of isolation window cells. For each acquisition of the acquisition cycle, the parallel isolation window includes a set of isolation sub-windows corresponding to a different set of isolation window cells of the precursor m / z range. At least two adjacent isolation sub-windows of the parallel isolation window are discontinuous. Each isolation window cell of the precursor m / z range is analyzed at least twice during the acquisition cycle. A mass spectrum for the precursor m / z range may be generated based on the set of mass spectra acquired during the acquisition cycle.

A method of mass spectrometry comprising: performing a first MSMS analysis in which ions having a first mass to charge ratio detected in a survey mode are fragmented or reacted and then mass analysed so as to obtain first MSMS mass spectral data; adding a mass to charge ratio detected in the first MSMS mass spectral data to an exclusion list; performing a second MSMS analysis in which ions having a second, different mass to charge ratio detected in the survey mode are fragmented or reacted, wherein the method comprises checking that the second mass to charge is not present on the exclusion list prior to performing the second MSMS analysis.

One mode of a chromatograph mass spectrometer according to the present invention includes: a measurement unit (1) that includes a chromatograph unit (1A) and a mass spectrometry unit (1B) capable of performing MS / MS analysis, and collects chromatograph mass spectrometry data having three dimensions of time, m / z, and a signal intensity by repeatedly performing the MS / MS analysis by data independent analysis in the mass spectrometry unit on a sample containing a compound separated by the chromatograph unit; a component detection unit (42) that detects a compound and a component corresponding to a partial structure of the compound by obtaining MS / MS spectra of a bar graph presentation based on chromatograph mass spectrometry data over a predetermined m / z range for a target sample, estimating precursor ion peaks in each of the MS / MS spectra, and selecting peaks based on a predetermined standard regarding an m / z direction in each of the MS / MS spectra and a predetermined standard regarding a time direction for peaks that can be considered to be identical or an identical group on the MS / MS spectra; a narrowing unit (43, 44) that narrows down components to be analyzed by performing screening using prior information on the detected component; and a composition estimation unit (45) that, by using m / z information corresponding to a narrowed down component, estimate a composition or a chemical formula of the component.

An analytical instrument comprises an ion mobility separator, a mass filter downstream of the ion mobility separator, and a mass analyser downstream of the mass filter. The ion mobility separator performs ion mobility separation scans to separate ions according to ion mobility. The mass filter filters the separated ions using an isolation window, and during each scan: (i) scanning a centre mass to charge ratio (m / z) of the isolation window, and (ii) controlling a width Δmz of the isolation window such that ions emerging from the ion mobility separator within an ion mobility arrival time range ΔT are transmitted by the mass filter. The mass analyser performs mass analysis scan(s) during each ion mobility separation scan in which the mass analyser analyses ions transmitted by or derived from ions transmitted by the mass filter, each mass analysis scan having a duration T, and wherein ΔT<T.

Methods are described for determining the amount of insulin in a sample. More specifically, mass spectrometric methods are described for detecting and quantifying insulin in a biological sample utilizing purification methods coupled with tandem mass spectrometric or high resolution / high accuracy mass spectrometric techniques.

A method of operating an analytical instrument is provided. The analytical instrument comprises: an ion mobility separator; a mass filter disposed downstream of the ion mobility separator; and a mass analyzer disposed downstream of the mass filter. The method includes an ion mobility separator performing a plurality of ion mobility separation scans, where in each ion mobility separation scan, the ion mobility separator receives ions and separates the ions according to their ion mobility. The method includes the mass filter filtering the separated ions using an isolation window, and during each ion mobility separation scan: (i) scanning the center mass-to-charge ratio (m / z) of the isolation window, and (ii) controlling the width [Delta] mz of the isolation window such that during the ion mobility separation scan, the center mass-to-charge ratio (m / z) of the isolation window is greater than the center mass-to-charge ratio (m / z) of the isolation window. Ions emerging from the ion mobility separator over an ion mobility arrival time range [Delta] T are transported by the mass filter. The method includes the mass analyzer performing one or more mass analysis scans during each ion mobility separation scan, where in each mass analysis scan, the mass analyzer receives and analyzes ions transmitted by the mass filter or ions sourced from the ions transmitted by the mass filter, wherein each mass analysis scan has a duration T, and wherein [Delta] Tlt; t.

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

An array of identical linear quadrupole ion traps, each trap comprising the following: at least four main electrodes (32, 33, 34, 35) extending in a Z-direction to form a quadrupolar field at least in the midline region aligned along the Z-axis, wherein the Z-axis is either straight or curved with a radius that is substantially larger than the distance between the said main electrodes (32, 33, 34, 35); an ion ejection slot (36) in at least one of the main electrodes (32, 33, 34, 35); wherein the slot (36) is oriented in the Z direction; a pair of electrostatic end plugs (37, 38) arranged at the Z-edges of the quadrupole ion trap; wherein the pair of end plugs (37, 38) are a segment of the main electrodes (32, 33, 34, 35) or ring electrodes; an RF generator that provides RF signals with opposite phases, to form a quadrupolar RF field at least in the midline region of the main electrodes (32, 33, 34, 35); a variable DC supply for supplying DC signals to at least two rods in order to form a quadrupolar DC field with a weaker dipolar DC field at least in the midline region of main electrodes (32, 33, 34, 35); a DC, RF or AC supply connected to the aforementioned pair of end plugs (37, 38) to provide axial Z-capture; a gas supply or pumping means for providing a gas pressure in the range of 1 to 100 mTorr [0.133 to 13.332 Pascal], wherein the variable DC supply has means for ramping up the said quadrupolar potential, whereby a sequential ion ejection via the slot (36) occurs in the inverse relationship to the ion m / z, wherein the array further comprises a wide-diameter RF channel (25) with a DC gradient for collecting, transferring and spatially confining ions behind the slots (36) of the quadrupole ion traps; wherein the dimension of said RF channel (25) is defined by the trap sizes of the quadrupole ion traps and the topology of the array and the gas pressure in the quadrupole ion traps, and wherein the individual quadrupole ion traps are oriented such that an ion emission surface is formed which is either planar or at least partially cylindrical or partially spherical for more efficient collection and transfer of ions in the wide diameter RF channel (25).

Provided are methods for determining the amount of estradiol in a sample using mass spectrometry. The methods generally involve ionizing estradiol in a sample and detecting and quantifying the amount of the ion to determine the amount of estradiol in the sample.

Disclosed herein are methods and systems for individual ion mass spectrometry (I2MS). The methods and systems described herein parse I2MS data and allows for informed tandem mass spectrometry analyses by determining a target m / z that increases the yield of an intact mass corresponding to an analyte of interest while reducing the yield of additional detectable masses.

A method for multiple reaction monitoring using a mass spectrometer (106) is proposed. The method comprises i) measuring (128), using a mass spectrometer (106), multiple reaction monitoring transitions of both a quantifier and a qualifier of both an internal standard and an analyte using alternating multiple reaction monitoring, the alternating multiple reaction monitoring comprising at least three multiple reaction monitoring channel groups, one of the multiple reaction monitoring channel groups being measured at the respective theoretical m / z values of both the quantifier and the qualifier of both the internal standard and the analyte, and the two other multiple reaction monitoring channel groups being measured at respective m / z values shifted by a predetermined level higher and lower; ii) comparing (130), for at least two of the groups, at least two of the quantifier / qualifier ratios of the multiple reaction monitoring transitions of the internal standard with reference values from a database (126) using at least one processing device (120), the comparing including determining a deviation between the quantifier / qualifier ratio and the reference value; iii) determining (132), if at least one deviation of the quantifier / qualifier ratio is within at least one predetermined tolerance range, using a processing device (120), a measurement result from the measured multiple reaction monitoring transitions of the analyte and the internal standard, and, if not, rejecting (136) the measured multiple reaction monitoring transitions; and including.

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

A charge detection mass spectrometer includes: an ion trap configured to receive and store ions therein and selectively release the stored ions therefrom; and an electrostatic linear ion trap (ELIT), the electrostatic linear ion trap (ELIT) being spaced apart from the ion trap, the ELIST comprising a first ion mirror and a second ion mirror and a charge detection cylinder positioned therebetween; and means for selectively controlling the ion trap to release at least some of the stored ions therefrom to travel toward and into the ELIST, and for controlling the first ion mirror and the second ion mirror in a manner that captures in the ELIST a single of the ions traveling therein, and causing the trapped ions to oscillate back and forth between the first ion mirror and the second ion mirror each time the trapped ions pass through the charge detection cylinder and a corresponding charge is induced thereon.

The invention discloses a sample introduction device for tandem mass spectrometry, and belongs to the technical field of compound detection devices.The sample introduction device comprises a partition ionization mechanism, the partition ionization mechanism comprises a cover body arranged on a conveying line, air cylinders are fixedly installed on the two sides of the top end of the cover body, piston rods on the air cylinders are connected to side plates, and the top end of the cover body is provided with a baffle; the bottom of the side plate penetrates through the cover body and extends to the conveying line; an ion source for ionizing a sample is mounted at the top end of the inner wall of the cover body; and the blade heat dissipation mechanism comprises a first motor fixed to the periphery of the cover body, and one end of an output shaft of the first motor extends to the first blade through a first bevel gear. The technical problems that a sensing and refrigerating system is complex in design, inconvenient to maintain and high in cost once being damaged, and the working effect of the whole refrigerating system is affected due to the fact that the temperature of a refrigerant medium can be reduced when the difference between the internal temperature and the external temperature of the environment is small, and the heat transfer efficiency is reduced can be solved.

Methods for detecting or determining the amount of an antidepressant and / or antidepressant metabolite in a sample are described. More particularly, mass spectrometry methods for detecting and quantifying an antidepressant and / or antidepressant metabolite in a sample are described.

Methods and apparatuses for the identification and / or characterization of properties of a macromolecule based on mass spectrometry data. Specifically, described herein are methods and apparatuses for converting peptide-level data into a pseudo-intact mass spectra. Also described herein are methods and apparatuses for converting peptide-level data into a pseudo-electropherogram. The methods may be well suited for analyzing proteins and protein complexes, including estimating properties of post-translational modifications of the proteins and protein complexes. Methods may include generating a theoretical graph or spectrum based on peptide-level mass spectrometry data. In some embodiments, the theoretical graph may be a theoretical intact mass spectrum or a theoretical charge distribution spectrum.

The invention provides a liquid chromatography-mass spectrometer containing an electrospray ion source device, wherein the electrospray ion source device comprises a disk atomizer, a ring electrode group and a repeller electrode, wherein the disk atomizer can generate a plurality of Taylor cone structures by controlling the voltage intensity, thereby greatly improving the atomization charging effect; at the same time, it can be compatible with a larger flow rate, and can improve the atomization charging effect of the compound under a high flow rate when the voltage is increased; an annular electrode is applied under the spray needle to converge and focus the charged particles diffused by the spray; finally, an electrode is arranged on the opposite side of the ion inlet to push the charged compound from the ion inlet into the vacuum chamber, thereby increasing the number of ions that can be analyzed and significantly improving the mass spectrometry sensitivity, and also providing technical support and new ideas for improving the sensitivity of the mass spectrometer, and having good application prospects.

In an aspect, the present disclosure relates to a method. In one implementation, the method includes providing a material in an air-tight chamber defining an inlet and an outlet; supplying a direct current voltage to an electrode proximate to the material to generate ions in the air-tight chamber; introducing a carrier gas to the air-tight chamber at the inlet; and collecting the carrier gas and the ions at the outlet.

In one aspect, a system and method for calibrating a hybrid mass spectrometer is provided. The calibration may include an accurate mass calibration and, for example, a nominal mass calibration performed over multiple transmission widths and scan rates, ideally applied to each reference standard, where each reference standard represents a different m / z, to generate a matrix of correction factors corresponding to each of the transmission width and scan rate pairs at m / z values ​​for the reference standard being evaluated. Multi-parameter interpolation may be applied to identify correction factors to be used for subsequent analysis transmission width and scan rate pairs that differ from the multiple transmission widths and scan rates used to generate the correction factors.

A method of mass spectrometry comprises applying voltages to a mass filter such that it simultaneously transmits precursor ions, 15 & 13, within multiple separate mass transmission windows, 12 & 14, to an ion separator device, such as an ion mobility separator (IMS), while filtering out, or attenuating and transmitting, other precursor ion species. The simultaneously transmitted precursor ions are then separated in, for example, the IMS device so as to provide different ones of the precursor ion species to a fragmentation or reaction device at different times, said ions being sequentially fragmented or reacted so as to form fragment or product ions. The fragment or product ions are then detected in a mass analyser and associated with their respective precursors based on their times of detection therein.

Analyzer, which includes the following: an ion source (1); an ion mobility separation element (7) containing a pair of opposing electrodes (3, 4) to which a high-frequency voltage (13) and a direct current voltage (14) are applied; and a shielding electrode (2, 42, 43, 46) which is provided between the ion source (1) and the ion mobility separation part (7) and to which a DC voltage (12, 70) is applied, wherein the shielding electrode (2, 42, 43, 46) has an ion flow path (8, 41, 45, 47, 49) which connects an inlet (60), from which ions are introduced from the ion source (1), with an outlet (62), from which the ions are released, and the ion flow path (8, 41, 45, 47, 49) includes a cylindrical section which is bent in its middle so that the outlet (36) cannot be seen from the inlet (60).

Desorber 600 has body 610 which can be removably coupled to a sample inlet of a chemical trace detection system. Sample heater 640 can desorb a sample held in sample trap 630 coupled to sample holder

A method for multiple reaction monitoring using a mass spectrometer (106) is proposed. The method comprises i) measuring (128), using a mass spectrometer (106), multiple reaction monitoring transitions of both a quantifier and a qualifier of both an internal standard and an analyte using alternating multiple reaction monitoring, the alternating multiple reaction monitoring comprising at least three multiple reaction monitoring channel groups, one of the multiple reaction monitoring channel groups being measured at the respective theoretical m / z values of both the quantifier and the qualifier of both the internal standard and the analyte, and the two other multiple reaction monitoring channel groups being measured at respective m / z values shifted by a predetermined level higher and lower; ii) comparing (130), for at least two of the groups, at least two of the quantifier / qualifier ratios of the multiple reaction monitoring transitions of the internal standard with reference values from a database (126) using at least one processing device (120), the comparing including determining a deviation between the quantifier / qualifier ratio and the reference value; iii) determining (132), if at least one deviation of the quantifier / qualifier ratio is within at least one predetermined tolerance range, using a processing device (120), a measurement result from the measured multiple reaction monitoring transitions of the analyte and the internal standard, and, if not, rejecting (136) the measured multiple reaction monitoring transitions; and including.

Methods are provided for detecting the amount of one or more CAH panel analytes (i.e., pregnenolone, 17-OH pregnenolone, progesterone, 17-OH progesterone, dehydroepiandrosterone (DHEA), androstenedione, testosterone, deoxycorticosterone, 11-deoxycortisol, and cortisol) in a sample by mass spectrometry. The methods generally involve ionizing one or more CAH panel analytes in a sample and quantifying the generated ions to determine the amount of one or more CAH panel analytes in the sample. In methods where amounts of multiple CAH panel analytes are detected, the amounts of multiple analytes are detected in the same sample injection.

A low power mass spectrometer assembly includes at least an ionization component, an electrostatic analyzer, a lens assembly, a magnet assembly and at least one detector located in a same plane as the entrance to the magnet assembly for detecting the deflected sample ions and / or fragments of sample ions, including ions or ion fragments indicative of the Vitamin D metabolite within the sample.

To provide a system for performing multiplexed ion pre-separation for mass spectrometry.SOLUTION: The system includes a pre-separation device for separating the precursor ions into a set of discrete fractions of precursor ions based on a physical property of the precursor ions and for sequentially transmitting a first subset of the discrete fractions of precursor ions included in the set of discrete fractions of precursor ions. The system further includes a mass spectrometer positioned downstream of the pre-separation device for receiving the first subset of the discrete fraction of precursor ions. The mass spectrometer includes an ion storage for accumulating a first population of product ions generated from each discrete fraction of precursor ions included in the first subset of discrete fractions of precursor ions and a mass analyzer for performing mass analysis of the first population of product ions.SELECTED DRAWING: Figure 1

A method of mass and / or mobility spectrometry comprises: separating a sample with a chromatography device such that different analytes in the sample have different retention times in the chromatograph