In one aspect, a time-of-flight (TOF) mass analyzer is disclosed, which includes an input for receiving a plurality of ions (herein also referred to as "primary ions"), an ion acceleration region through which the received ions are accelerated, a push electrode for directing the received ions into the ion acceleration region, and a field-free ion drift region for receiving said accelerated ions, said field-free ion drift region having an ion detector positioned at a distal end thereof. At least one magnet is positioned relative to the electric field-free region so as to establish a magnetic field in at least a portion of the electric field-free region for deflecting electrons entering the electric field-free region so as to inhibit the electrons from reaching the ion detector.
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 method of sampling a sample liquid disposed in a receptacle includes forming a meniscus of a transport liquid at a port of an open port interface (OPI). The sample liquid is contacted with the transport liquid, thereby transferring at least some of the contents of the sample liquid to the transport liquid.
G01N 1/38 - Diluting, dispersing or mixing samples
G01N 35/10 - Devices for transferring samples to, in, or from, the analysis apparatus, e.g. suction devices, injection devices
G01N 35/08 - Automatic analysis not limited to methods or materials provided for in any single one of groups Handling materials therefor using a stream of discrete samples flowing along a tube system, e.g. flow injection analysis
Systems and methods for evaluating the operational state of a mass measuring system, including its tuning include a first mass separator in series with a second mass separator, with the second mass separator being faster than the first mass separator. Unprocessed mass data of detection of a set of ions is received from the second mass separator. A known ion is identified in the unprocessed mass data, and an actual appearance and an actual disappearance of the known ion is mapped to determine an appearance period of the known ion. The appearance period is compared with an intended appearance period for the known ion, and, based on the comparing, a match status between the appearance period and the intended appearance period is determined for the unfragmented mass.
Systems and methods of constructing mass spectrometry data structures for increased high-dimensional extraction. Mass spectrometry data, including intensities for one or more product ions and an offset for each of the intensities, is obtained and the intensities for the one or more product ions are recorded in a first m x n matrix with an n-dimension corresponding to a time dimension and an m-dimension corresponding to a mass-to-charge dimension. The first m x n matrix is transposed into a second m x n matrix with an n-dimension corresponding to a mass-to-charge dimension and an m- dimension corresponding to a time dimension and each of the first and second m x n matrices is stored as an index of the mass spectrometry data.
Examples of this disclosure include methods and systems of enzyme engineering, including preparing a plurality of DNA samples, combining at least one of the plurality of DNA samples with a host cell, incubating the combined at least one of the plurality of DNA samples and the host cell at one of a desired first temperature and for a desired first period of time to generate a plurality of first enzymes, adding a first cell lysis reagent to the combined at least one of the plurality of DNA samples and the host cell to release the plurality of first enzymes, adding a first catalyzing substrate to the plurality of first enzymes to generate a first product and a first by-product for each first enzyme via catalysis, evaluating a first reaction yield for each first enzyme, and selecting a first enzyme from the plurality of first enzymes based on the evaluation.
In one aspect, a time-of-flight (TOF) mass analyzer is disclosed, which includes an inlet for receiving ions, a first ion acceleration region in which at least a portion of the received ions is accelerated to a first energy, a first field-free ion drift region positioned downstream of the first ion acceleration region for receiving the accelerated ions, a second ion acceleration region positioned downstream of the first field-free ion drift region for receiving ions exiting the first field-free ion drift region and accelerating the ions to a second energy, a second field-free ion drift region positioned downstream of the second ion acceleration region for receiving the ions exiting the second ion acceleration region, and an ion detector for receiving ions passing through the second field-free ion drift region and generating ion detection data. The ion detection data can be analyzed to generate a mass spectrum of the detected ions.
In one aspect, a method of operating an analytical device for measuring at least one analyte within a sample is disclosed, which includes utilizing a digital data processor to receive a sample acquisition rate for introduction of the sample into the analytical device, and to compute one or more optimal operating parameters of the analytical device based on the sample acquisition rate by optimizing a figure-of-merit associated with measurement of the analyte, where the operating parameters include a temporal duration of a measurement cycle and/or selectivity associated with the measurement. The analytical device can be operated at the optimal operating parameters while receiving the sample at the sample acquisition rate to generate sample measurement data corresponding to the analyte. The sample measurement data can be processed to derive information about the analyte.
Methods and systems for analyzing a sample that includes a protein and a binding ligand, the method including receiving the sample at an ionization device via non-contact sampling, the first sample being in a non-denaturing carrier solvent, ionizing the first sample, generating a deconvoluted mass spectrum for the ionized first sample, and detecting binding between the protein and the binding ligand in the first sample based at least in part on the deconvoluted mass spectrum. The non-contact sampling is performed via a non-contact sample ejector. Methods and systems for analyzing a sample that includes a protein includes receiving the sample via non-contact sampling, the sample being in one of a plurality of non-denaturing carrier solvents, and for non-denaturing carrier solvent, ionizing the sample, generating a deconvoluted mass spectrum for the ionized sample, and detecting protein binding in the first sample based at least in part on the deconvoluted mass spectrum.
H01J 49/00 - Particle spectrometers or separator tubes
G01N 33/68 - Chemical analysis of biological material, e.g. blood, urineTesting involving biospecific ligand binding methodsImmunological testing involving proteins, peptides or amino acids
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
In one aspect, a heat transfer structure for use in a mass spectrometer can include a collar for surrounding a plurality of rods arranged in a multipole configuration, at least one ceramic pad positioned to be in thermal contact with at least one of the rods, and at least one thermally conductive plate positioned to provide a heat transfer path between the at least one ceramic pad and the collar. The heat transfer structure can further include a bracket mounted on a bracket mounting portion of the collar for transferring heat from the collar to a rail.
A solvent delivery system for an open port interface (OPI) includes a first diverter which includes a wash solvent inlet, a carrier solvent inlet, and a first diverter outlet. A wash solvent pump is fluidically coupled to the wash solvent inlet. A carrier solvent pump is fluidically coupled to the carrier solvent inlet. A second diverter includes a second diverter inlet fluidically coupled to the first diverter outlet. An OPI port is configured to be coupled to an OPI. A waste outlet is configured to be coupled to a waste container.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
12.
METHODS AND SYSTEMS FOR GENERATING A CONTROLLABLE AXIAL PSEUDOPOTENTIAL BARRIER IN MULTIPOLE ROD SETS OF MASS SPECTROMETERS
The present teachings are generally related to generating a pseudo potential barrier via an axial RF field. As discussed herein in more detail, such a pseudo potential barrier can be employed in a variety of different applications. By way of example, such a pseudo potential barrier can be employed for trapping ions within a rod set comprising a plurality of rods arranged in a multipole configuration. In other applications, an adjustment of the height of the pseudo potential barrier established in a rod set together with application of a DC potential between the rod set and an external electrode can be utilized to cause mass selective extraction of ions trapped within the rod set. In yet other applications, such a pseudo potential barrier can be employed in multiplexing approaches for performing mass spectrometry.
The present teachings are generally related to a method of performing mass spectrometry, which includes dissociating a plurality of precursor ions to generate a first set of product ions, wherein ions with approximately same m/z are associated in a group, and wherein said first set of product ions contains at least two groups of ions with distinct m/z's. The method further includes introducing the first set of product ions into an ion trap; transferring different groups of the first set of product ions during different time intervals from the ion trap to an ion dissociation device so as to cause dissociation of at least a portion of the first set of product ions to generate a second set of product ions, and acquiring a mass spectrum of the second set of product ions.
Mass spectrometry systems and methods are disclosed. In some embodiments, the mass spectrometry system comprises an ion trap configured to receive a plurality of precursor ions and to load the plurality of precursor ions in a trap region; an electron gun configure to perform an irradiation operation by applying an electron beam to the trap region to produce fragmented ions; an RF gate configured to perform an extraction operation by extracting, from the trap region, a high m/z subset of the fragmented ions with m/z ratios greater than a specific value; and a mass spectrometer configured to perform mass spectrometry analysis on a subset of the fragmented ions remaining in the trap region, wherein an irradiation-extraction operation, including performing the irradiation operation and the extraction operation, is repeated at least twice before performing the mass spectrometry analysis on the subset of the fragmented ions remaining in the trap region.
The present teachings are generally related to generating a pseudo potential barrier via an axial RF field. A first RF voltage is applied to a first pair of rods arranged in a multipole configuration, a second RF voltage is applied to a second pair of rods, and a difference between amplitudes and/or phases of said first RF voltage and said second RF voltage is adjusted. As discussed herein in more detail, such a pseudo potential barrier can be employed in a variety of different applications. By way of example, such a pseudo potential barrier can be employed for trapping ions within a rod set comprising a plurality of rods arranged in a multipole configuration. In other applications, an adjustment of the height of the pseudo potential barrier established in a rod set together with application of a DC potential between the rod set and an external electrode can be utilized to cause mass selective extraction of ions trapped within the rod set. In yet other applications, such a pseudo potential barrier can be employed in multiplexing approaches for performing mass spectrometry.
The presently claimed and described technology is directed to electrophoretic methods for conditioning a capillary using a conditioning buffer including a surface active polymer and a separation reagent including a separation polymer.
Methods and systems for operating an OPI of a sample analysis system, the OPI having a transport liquid conduit and a sample removal conduit and being configured to flow a transport liquid therethrough to a capture region, the method including introducing the OPI at a liquid sample in a sample reservoir while supplying the transport liquid at a first flow rate to the capture region, aspirating a first amount of the liquid sample through the removal conduit via the transport liquid flowing at the first flow rate, switching a flow rate of the transport liquid flowing through the OPI to a second flow rate when a first condition is met, the second flow rate being different from the first flow rate, and aspirating a second amount of the liquid sample through the removal conduit via the transport liquid flowing at the second flow rate. Fast flow rate switching is enabled by a transport liquid flow control apparatus comprising a selectable valve having a pair of valve outlets coupled to different flow paths having different flow resistances.
H01J 49/00 - Particle spectrometers or separator tubes
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
18.
REDUCTION OF UNUSED PRECURSORS IN ELECTRON ACTIVATED DISSOCIATION (EAD)
In one aspect, a method of performing mass spectrometry is disclosed, which comprises introducing a plurality of precursor ions into an ion dissociation device, dissociating at least a portion of the precursor ions into a first plurality of product ions having m/z ratios less than an m/z ratio of the precursor ions, discarding at least a portion of any precursor ions remaining subsequent to said dissociation step within said ion dissociation device, and subsequently, allowing at least a portion of said first plurality of product ions to exit from the ion dissociation device through an outlet of the ion dissociation device.
Methods and non-transitory computer readable storage media for loading a reactive agent onto a fluidic device, loading a sample comprising the at least one analyte onto the fluidic device; applying a voltage to the fluidic device, wherein when the voltage is applied the reactive agent remains confined to a region in the separation channel and the at least one analyte is separated from the sample and migrates towards the fluid outlet; generating a first data set and a second data set; converting the second data set by removing a baseline; and correlating the first data set and the converted second data set.
A capillary emitter includes a coupling sleeve, a separation capillary inside the coupling sleeve, the separation capillary extending along a longitudinal axis of the coupling sleeve, a tip at an end of the coupling sleeve, the tip comprising an orifice and having an internal base, a first hollow internal cavity defined on one side thereof by the internal base in the coupling sleeve, the first hollow internal cavity comprising the separation capillary, and a fluid pathway within the first hollow internal cavity, the fluid pathway surrounding the separation capillary, wherein, at the internal base of the tip, the separation capillary and the fluid pathway are fluidly connected within the first hollow internal cavity.
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.
The disclosed technology provides capillary electrophoresis methods and kits for the separation of multiple components in one or two runs with high resolution.
A method for mass spectrometry comprises ionizing an analyte in an ionizer to generate a plurality of precursor ions; applying temporally modulated energy to the plurality of precursor ions within the ionizer to generate a plurality of fragments of the plurality of precursor ions; and introducing a subset of ions generated in the ionizer into a downstream chamber of a mass spectrometer. In some embodiments, applying the energy may include flowing a gas toward the precursor ions. In various embodiments, the gas may include a heating gas or a cooling gas.
H01J 49/00 - Particle spectrometers or separator tubes
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
24.
SYSTEM AND METHOD FOR SAMPLE SEPARATION DIRECTED AT MASS SPECTROMETRY INDENTIFICATION ON A MICROFLUIDIC CHIP
Described and claimed herein are systems and methods that provide streamlined coupling of CE (e.g., CE-SDS) separation with MS analysis (e.g., such as CE(SDS)-AEX-MS).
G01N 30/96 - Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography using ion-exchange
A method for annotating product ions of a spectrum is disclosed. A product ion mass spectrum is received. A parameter that indicates the mass spectrum was produced using a radical-induced dissociation method is received. At least one charge state mass-to-charge ratio (m/z) adjustment based on the parameter is performed for at least one product ion peak of the mass spectrum and the adjustment is compared to one or more other product ion peaks of the mass spectrum. The at least one product ion peak is annotated based on the comparison. The charge state adjustment includes the loss of an electron or the loss or gain of a hydrogen atom. The radical-induced dissociation method includes electron-based dissociation (ExD), ultraviolet photodissociation (UVPD), or infrared photodissociation (IRMPD).
Calibrant compositions comprising a plurality of synthetic peptides for calibration of a mass spectrometer in either positive or negative mode are provided. The synthetic peptide calibrants exhibit desirable ionization characteristics, solubility, and solution stability, and are easily washed out of the system such that no interfering signals are left behind. Methods for calibration of mass spectrometer in positive or negative ion mode using a single calibrant composition are also provided.
Methods and systems for background processing include ionizing a first sample and a second sample, the first sample including the target molecule, and the second sample including a target molecule-ligand combination, capturing a raw mass spectrum for the ionized first sample and second sample, generating a deconvoluted mass spectrum for the first sample and the second sample, determining an intensity ratio of a background intensity at a mass window corresponding to a sum of a mass of the target molecule and a mass of the ligand in the first sample to a signal intensity at a mass window corresponding to the target molecule in the first sample, and determining, based on the determined intensity ratio, a background intensity of the target molecule- ligand combination in the deconvoluted mass spectrum of the second sample at a mass window corresponding to the mass of the target molecule-ligand combination.
A method of sampling with an open port interface (OPI) comprises operating the OPI. A liquid sample is contacted with the OPI. An aliquot from the liquid sample is pinned to the OPI. The aliquot includes a predetermined volume which terminates contact between the OPI and the liquid sample. The aliquot is aspirated from the OPI via a removal conduit within the OPI.
G01N 35/10 - Devices for transferring samples to, in, or from, the analysis apparatus, e.g. suction devices, injection devices
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
29.
BEAM HOMOGENIZATION FOR TRAPPED ION PROCESSING WITH DISCRETE ION PACKETS
In one aspect, a mass spectrometer is disclosed, which includes an ion trapping device, at least one pressurized ion guide configured to allow establishment of an adjustable axial field therein such that the axial field can be adjusted to operate the pressurized ion guide in any of a fast and a slow operational setting, a mass analyzer for receiving ions passing through the pressurized ion guide and configured to provide mass analysis of the received ions, and a controller in communication with said at least one pressurized ion guide for causing the adjustment of the axial field so as to switch the operational setting of the pressurized ion guide between the fast and the slow operational settings based on an operational mode of the mass spectrometer.
A method of calibrating a signal measurement system includes performing a first number of calibration measurements for a first number of samples of a compound, the samples having known concentrations, by measuring a signal for each sample, receiving a signal for a sample having an unknown concentration of the compound; selecting a second number of calibration measurements from the first number of calibration measurements, the second number being smaller than the first number; performing a regression on the selected second number of calibration measurements; and determining the unknown concentration based on the performed regression.
Systems and methods are provided for correcting a measured retention time or expected retention time of an ion intensity measurement. A measured sentinel retention time is received for each of a plurality of sentinel ion intensity measurements. During acquisition, sentinel analysis is performed. In sentinel analysis, a plurality of ion intensity measurements is divided into two or more groups so that different groups of the two or more groups are measured separately. At least one sentinel ion intensity measurement in each group of the two or more groups is selected to identify a next group of the two or more groups to be measured. A measured retention time or an expected retention time of at least one non-sentinel ion intensity measurement of the two or more groups is corrected using the plurality of measured sentinel retention times.
A method for quantifying a purity of a target analyte in a sample includes introducing into a mass spectrometer, via a sample introduction, a plurality of sample ions generated by ionizing at least a portion of analytes in the sample; obtaining, via the mass spectrometer, a plurality of mass spectra including a sample mass spectrum associated with the sample introduction; analyzing the sample mass spectrum to identify a target signal corresponding to the target analyte; deriving, from the target signal, a target signal intensity corresponding to the target analyte; deriving, from at least a portion of the sample mass spectrum, a sample signal intensity; and quantifying the purity of the target analyte based on the target signal intensity and the sample signal intensity.
In one aspect, a method of acquiring mass data in a mass spectrometric system is disclosed, which includes introducing a plurality of ions into a mass filter providing a mass selection window to allow passage of precursor ions having m/z ratios within the mass selection window through the mass filter and scanning the mass selection window and adjusting a width thereof across a mass range during acquisition of mass data.
A method for determining a composition of a sample utilizing mass spectrometry includes introducing a plurality of sample ions, obtaining a plurality of mass spectra including a sample introduction mass spectrum associated with the sample introduction event, identifying a set of background signals, identifying a set of sample ion signals by removing background ions, and deriving, from the set of sample ion signals, an ion list corresponding to the composition of the sample.
In one aspect, a mass spectrometer system includes an ion mobility spectrometer (IMS), a gas supply for providing a curtain gas, a modifier supply for providing a liquid modifier, and a nebulizer for receiving the liquid modifier from the modifier supply and generating liquid droplets for delivery to a curtain chamber of the IMS. The spectrometer includes a fluid manifold for receiving the liquid modifier and delivering the liquid modifier to the nebulizer and to receive the curtain gas from the gas supply and provide a first portion of the curtain gas to the nebulizer as a nebulizing gas and provide a second portion of the curtain gas as a sheath flow to a region in vicinity of a nozzle of the nebulizer such that a combination of the sheath flow and gas exiting the nebulizer flows as a curtain gas entraining the liquid droplets to the curtain chamber.
G01N 27/623 - Ion mobility spectrometry combined with mass spectrometry
B05B 5/00 - Electrostatic spraying apparatusSpraying apparatus with means for charging the spray electricallyApparatus for spraying liquids or other fluent materials by other electric means
36.
POWER SUPPLY INCLUDING AMPLITUDE CALIBRATION AND PHASE CORRECTION FOR MASS SPECTROMETRY
In one aspect, a circuit for generating an asymmetric waveform for application to electrodes of a differential mobility mass (DMS) spectrometer is disclosed, which includes two digital waveform synthesizers for generating digital waveforms, which are converted to analog waveforms for application to electrodes of the DMS spectrometer. Analog feedback signals associated with the applied waveforms are digitized into digital amplitude calibration feedback signals and digital phase correction feedback signals. An amplitude calibration circuit is employed apply an RF calibration factor to at least one of the digital waveform synthesizers based on digital the amplitude calibration feedback signals. A digital passband filter is employed to filter the digital phase correction feedback signals, which are then employed to determine a phase correction signal for application to at least one of the digital waveform synthesizers for maintaining a substantially constant phase difference between the waveforms generated by the digital waveform synthesizers.
In one aspect, a circuit for generating an asymmetric waveform for application to electrodes of a differential mobility mass (DMS) spectrometer is disclosed, which includes two digital waveform synthesizers for generating digital waveforms, which are converted to analog waveforms for application to electrodes of the DMS spectrometer. Analog feedback signals associated with the applied waveforms are digitized and a digital passband filter is employed to filter the digital feedback signals, which are then employed to determine a phase correction signal for application to at least one of the digital waveform synthesizers for maintaining a substantially constant phase difference between the waveforms generated by the digital waveform synthesizers.
Examples of the disclosure relate to a modular radiant light generation apparatus, including a modular receiver including a recessed portion, a radiant light source on a bottom surface of the recessed portion of the modular receiver, a first fitting on the radiant light source, a fiber optic jacket including a fiber optic core therein, a first portion of the fiber optic jacket coupled to the second fitting being inserted in the first fitting, and a third fitting including a threaded projection and a biasing element the second fitting being coupled to the first fitting being configured to align the fiber optic core with the radiant light source, and the biasing element being configured to keep the fiber optic core in contact with the radiant light source.
Computer-implemented methods and non-transitory computer readable storage media for determining compound structures from two or more MS/MS data sets obtained using orthogonal fragmentation, where the two or more MS/MS data sets may be processed, aligned, and consolidated to determine a lead candidate structure.
Systems and methods are disclosed for determining an isomer of a non¬ derivatized glycan. A first intensity of a first product ion and a second intensity of a second product ion for a non-derivatized glycan produced using electron-based dissociation (ExD) mass spectrometry are received. The isomer is determined by differentiating between a first isomer and a second isomer of the non-derivatized glycan. Differentiating between the first isomer and the second isomer includes comparing an intensity ratio of the first intensity and the second intensity to a ratio threshold value. The ratio threshold value differentiating the first isomer from the second isomer varies with the kinetic energy of the mass spectrometry The electron kinetic energy of the ExD is greater than or equal to 11 eV and less than or equal to 25 eV.
Described and claimed herein are capillary electrophoresis methods and kits for characterizing encapsulation efficiency or characterizing a biomolecule on an encapsulation.
In one aspect, a method of performing mass spectrometry is disclosed, which includes acquiring mass detection signals generated by an ion detector during an ion extraction event in a time-of-flight (ToF) mass analyzer in response to incidence of ions thereon, and applying an adjustable gain to the mass detection signals, wherein the step of applying the adjustable gain to the mass detection signals is performed dynamically based on m/z regions associated with said mass detection signals.
A mass spectrometer includes at least one ion optic for influencing the trajectory of at least one ion in an ionized sample. A casing includes a plurality of walls. Power supply components are disposed in the casing for supplying power to the at least one ion optic. An expansion component is within the casing. An encapsulant is disposed in the casing and encapsulates the power supply components. The encapsulant is in contact with the expansion component.
A method and system for sample processing, the system including an open port interface (OPI 104) comprising a removal conduit (125), the removal conduit comprising a removal conduit inlet and a removal conduit outlet and being configured to transport liquid between the (OPI 104) and a downstream device (120) via the removal conduit outlet, a fluid delivery pump (126) configured to provide a liquid flow to the OPI, a transfer capillary (302) in fluid communication with the removal conduit inlet, the transfer capillary (302) comprising a transfer capillary tip (312) located at a distance from the removal conduit inlet, and a distance adjusting device configured to adjust the distance between the transfer capillary tip and the removal conduit inlet.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
46.
SYSTEMS AND METHODS FOR IMPROVED SEQUENCE COVERAGE IN ANALYSIS OF LARGE POLYPEPTIDES
In some embodiments, a method for improved sequence coverage of a polypeptide comprises removing interchain disulfide bonds and retaining essentially all intrachain disulfide bonds of a first sample and performing a first mass spectrometry (MS) analysis of the first sample to determine a first amino acid sequence, removing interchain disulfide bonds and intrachain disulfide bonds of a second sample and performing a second MS analysis to determine a second amino acid sequence, and combining the first and second sequence to determine a combined amino acid sequence of the polypeptide.
In one aspect, a mass spectrometric method for sequencing a morpholino oligomer is disclosed, which includes ionizing the morpholino oligomer to generate a positively-charged precursor ion, dissociating the positively-charged precursor ion using electron-based dissociation to generate a plurality of product ions, and determining one or more nucleotides of the morpholino oligomer based on analysis of m/z ratios of one or more of the product ions. A mass spectrum of the product ions can be generated for determining their m/z ratios.
Methods and systems for automatically controlling a sampling event, the methods and systems including performing a sampling trigger A corresponding to a triggering time A (511), ejecting a sample A from a sample source, wherein the sample ejection A corresponds to a sampling time A (530), determining a delay time based on the sampling time A and a sampling time B of a previous sample B, and performing a sampling trigger C, wherein the sampling trigger C is performed based at least in part on the delay time. This allows to increase the rate of high throughput mass spectrometry while avoiding the problem of potential signal overlapping.
G01N 35/00 - Automatic analysis not limited to methods or materials provided for in any single one of groups Handling materials therefor
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
49.
SYSTEMS AND METHODS FOR REDUCING DATA STORAGE REQUIREMENTS IN MASS ANALYSIS SYSTEMS
A method and system for reducing data storage requirements in mass spectrometry data analysis, the method including ionizing a plurality of samples from a sample repository, and for at least one ionized sample of the plurality of samples, capturing a plurality of mass spectra over a period of time, generating an ion chromatogram based on the captured plurality of mass spectra, the ion chromatogram extending over the period of time, isolating an individual peak of the ion chromatogram, determining at least one of a starting point, an apex, and an ending point of the isolated individual peak, correlating the determined at least one of the starting point, the apex and the ending point to the ionized sample, and storing the correlated at least one of the starting point, the apex, the ending point and the ionized sample in a data repository.
Methods and systems for automatically analyzing a collection of samples, the method including ionizing a plurality of samples, capturing a plurality of raw mass spectra for the ionized plurality of samples, and for at least one sample of the plurality of samples: generating a deconvoluted mass spectrum of the sample based on the captured plurality of raw mass spectra, accessing a reference mass of the sample, comparing the generated deconvoluted mass spectrum to the reference mass, and determining a covalent bonding in the sample based on the comparison, wherein the generating, the accessing, the comparing and the determining is performed contemporaneously for more than one sample of the plurality of samples.
H01J 49/00 - Particle spectrometers or separator tubes
G01N 33/68 - Chemical analysis of biological material, e.g. blood, urineTesting involving biospecific ligand binding methodsImmunological testing involving proteins, peptides or amino acids
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
In one aspect, a method for transmitting ions in a mass spectrometer includes using rods arranged in a multipole configuration and extending from proximity of an inlet of an ion guide to proximity of an outlet of the ion guide to generate an electromagnetic field for radially confining ions received via the inlet into a space between said rods, using auxiliary electrodes positioned between the rods to generate an electric field in a first region of the ion guide for reducing radial confinement of a first subset of the received ions in said first region to inhibit passage thereof to a downstream second region of the ion guide while allowing a second subset of the ions to reach the downstream second region, and axially accelerating said second subset of the ions in said downstream second region to expedite exit of said second subset of the ions from the ion guide.
A first product ion mass spectrum of a nucleic acid analyzed using a CID method is received. Also, a second product ion mass spectrum of the nucleic acid analyzed using a radical-induced dissociation method is received. Peak m/z values of the first spectrum, peak m/z values of the second spectrum, and an m/z value of a precursor ion of the nucleic acid are converted to a single charge. A peak m/z value of the first spectrum is determined that differs from a peak m/z value of the second spectrum by a mass value of a structure within the nucleic acid the radical-induced dissociation method is known to not be able to dissociate and the CID method is known to be able to dissociate. The structure includes a phosphorus atom and an optionally substituted 5 -membered ring containing an oxygen.
In one aspect, a method of performing MRM mass spectrometry is disclosed, which includes identifying a plurality of precursor ions expected to arrive at an ion guide positioned upstream of a mass filter during a predefined time period subsequent to MRM analysis of a current precursor ion selected by the mass filter, determining a bandpass window for application to said ion guide based on a maximum m/z difference between an m/z of the current precursor ion and m/z ratios of said plurality of precursor ions to be analyzed in said subsequent time period, and configuring the ion guide to provide said bandpass window.
Methods and systems for method of determining sampling triggers for an analysis device, the methods and systems including obtaining a frequency of sampling triggers, a cycle time to acquire a single data point, a number of data points to be acquired for a single peak, and a baseline signal width of a single sampling trigger peak, determining a desired number of sampling triggers to be performed and a delay time between sampling events based on the frequency of sampling triggers, the cycle time, the number of data points to be acquired for the single peak, and the baseline signal width of the single sampling trigger peak, and performing a measurement of a sample by executing the determined desired number of sampling triggers from the sample.
In one aspect, a method of positioning an open end of an open port interface (OPI) relative to a sample surface to be analyzed by mass spectrometry is disclosed. The OPI includes a liquid delivery conduit for delivering a liquid to the open end of the OPI and a liquid exhaust conduit for removing liquid from the open end of the OPI. The method includes establishing a fluid flow along a path extending from the liquid delivery conduit to the open end of the OPI, monitoring fluid pressure at one or more locations along the fluid flow path and adjusting a position of the open end of the OPI relative to the sample surface based on the monitored fluid pressure. The fluid can be a gas or a liquid. Further, the sample surface can be a liquid surface or a solid surface.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
A mass spectrometry system comprises a detector configured to detect a plurality of signals corresponding to a plurality of compounds in a sample; and an analyzer module configured to receiving, from the detector, signal data corresponding to the plurality of signals; performing an analysis of a signal of the plurality of signals corresponding to a compound of the plurality of compounds to detect an onset of an increase in the signal, wherein the analysis is different from comparing an intensity of the signal with a threshold; and increasing a dwell time for the compound in response to detecting the onset. In some embodiments, the analyzer module is further configured to determine an onset probability as the probability of occurrence for the onset; and utilize the onset probability in detecting the onset.
A method and system for investigating and analyzing data from a mass spectrometer, the system including a spectral database, a count service for receiving scan data generated by the mass spectrometer and identifying a number of spectra in the data, a scaling service for receiving the scan data generated by the mass spectrometer, receiving the number of spectra from the count service, and initiating a plurality of query services, each query service of the plurality of query services corresponding to at least one spectra of the number of spectra and for querying the spectral database with the corresponding at least one spectra and returning a match between the corresponding at least one spectra and at least one known spectra from the spectral database, and a results service for retrieving each match, and formatting each match into an output data structure.
A method and system of data acquisition for a mass analyzer, the method including providing a plurality of samples, each sample including a target analyte, adding a first internal standard to a first predetermined number of samples, the first internal standard including a first known analyte, adding a second internal standard to a second predetermined number of samples, the second internal standard including a second known analyte, the second internal standard being different than the first internal standard, receiving each sample at the mass analyzer, generating a trace for the plurality of samples, and determining at least one of a peak intensity and a peak position for the target analyte based on the generated trace.
H01J 49/00 - Particle spectrometers or separator tubes
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
59.
PARK MASS OVER-RESOLVED BANDPASS TO REDUCE ION PATH CONTAMINATION
In one aspect, a method of operating a mass spectrometer having an ion source, at least one ion optic positioned downstream of the ion source and at least one ion mass filter positioned downstream of the ion optic is disclosed, which includes transitioning an operational mode of the mass spectrometer from an active mass collection mode to a park mass mode, and configuring the ion optic to function as a bandpass ion filter for substantially inhibiting passage of ions generated by the ion source during the park mass mode to the downstream ion mass filter.
A first analysis of a mass range of a first sample is performed using a separation coupled mass spectrometer, producing a first set of multivariate data that includes both retention time and mass spectral data. A second analysis of a mass range of a second sample is performed using a separation coupled mass spectrometer, producing a second set of multivariate data that includes both retention time and mass spectral data. Each of the first set and the second set is divided into two or more subsets corresponding to two or m/z sub-ranges of the mass range. One or more chromatographic peaks in each of the two or more subsets of the first set are independently aligned with one or more chromatographic peaks in each corresponding subset of the two or more subsets of the second set using an alignment method.
Systems and methods are provided for predicting the mass spectrum of an unknown compound. An experimental mass spectrum of a known compound is obtained. One or more mass peaks of the experimental mass spectrum corresponding to a substructure of the known compound are annotated with at least one modification an unknown compound is predicted to include. An in- silico mass spectrum is created for the unknown compound from the experimental mass spectrum and the annotated one or more mass peaks. The unknown compound is then identified from a sample by mass analyzing the sample, producing an unknown experimental mass spectrum, and comparing the unknown experimental mass spectrum to the in-silico mass spectrum.
A method and system of DMS analysis using a DMS device, the method including introducing a sample at an opening of the DMS device, sequentially applying a plurality of separation voltages between opposing electrodes, wherein for each applied separation voltage: applying a plurality of incrementally increasing compensation voltages between the opposing electrodes, following each applied compensation voltage: interrupting application of the separation voltage and of the compensation voltage, collecting MS data for the sample exiting the DMS device while the separation voltage and the compensation voltage are interrupted, and determining an optimum compensation voltage out of the plurality of compensation voltages based on the collected MS data, repeating the sequentially applying the plurality of separation voltages to the introduced sample a plurality of times, and determining a CCS value for the sample based on the applied separation voltages and their corresponding determined optimum compensation voltages.
A method of processing a liquid sample includes providing the sample. A first set of beads is introduced to the sample. The first set of beads includes a bead characteristic and a first bead performance value. A second set of beads is introduced to the sample. The second set of beads includes the bead characteristic and a second bead performance value different than the first bead performance value. The sample is mixed with the first set of beads and the second set of beads. The first set of beads is captured in a first location within the sample.
B01D 15/20 - Selective adsorption, e.g. chromatography characterised by constructional or operational features relating to the conditioning of the sorbent material
B01D 15/38 - Selective adsorption, e.g. chromatography characterised by the separation mechanism involving specific interaction not covered by one or more of groups , e.g. affinity, ligand exchange or chiral chromatography
B01J 20/28 - Solid sorbent compositions or filter aid compositionsSorbents for chromatographyProcesses for preparing, regenerating or reactivating thereof characterised by their form or physical properties
B03C 1/01 - Pretreatment specially adapted for magnetic separation by addition of magnetic adjuvants
G01N 33/543 - ImmunoassayBiospecific binding assayMaterials therefor with an insoluble carrier for immobilising immunochemicals
G01N 35/00 - Automatic analysis not limited to methods or materials provided for in any single one of groups Handling materials therefor
64.
SINGLE TUBE SAMPLE PREPARATION AND CALIBRATION FOR BOTH SCREENING AND QUANTIFICATION OF ANALYTES
The presently claims and described technology provides methods and kits for quantifying at least one analyte in a sample by mass analysis using a labeled isotopologues as an internal standards and to generate internal calibration curves.
The presently described and claimed disclosure relates to capillary electrophoresis methods for quantifying an intact AAV genome and protein components in an AAV using the same capillary electrophoresis system. The claimed and described approach offers an automated analysis of AAV samples and provides information to determine the AAV empty/full ratio.
A method for mass spectrometric analysis of a peptide having at least one fragile moiety includes using electrospray ionization to generate a negatively charged ion of said peptide, trapping and cooling the negatively charged peptide ion in a radiofrequency (RF) ion trap containing a cooling buffer gas, and exposing said cooled, trapped peptide ion to an electron beam so as to cause negative electron activated dissociation (negative EAD) of the negatively charged peptide ion to generate a plurality of fragment ions.
H01J 49/00 - Particle spectrometers or separator tubes
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
G01N 33/68 - Chemical analysis of biological material, e.g. blood, urineTesting involving biospecific ligand binding methodsImmunological testing involving proteins, peptides or amino acids
67.
OPEN PORT INTERFACE HAVING HYDROPHOBIC OR HYDROPHILIC PROPERTIES
An open port interface includes an outer housing which defines an interior volume. A transport liquid port is communicatively coupled to the interior volume and configured to be fluidically coupled to a transport liquid pump. A removal conduit is disposed within the outer housing and fluidically coupled to the interior volume for removing a transport liquid from the interior volume. A sample inlet tip is removably coupled to the outer housing. The sample inlet tip defines a sample inlet port configured to receive a sample and communicatively coupled to the interior volume. At least a portion of the sample inlet tip proximate the sample inlet port includes a tip surface having a hydrophobicity different than a hydrophobicity of the outer housing.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
68.
RF CHOKE FOR USE IN A MASS SPECTROMETER AND RF CHOKE
A radio frequency (RF) choke for use in a mass spectrometer, comprising a bobbin having a hollow channel, a plurality of wire windings wrapped around said bobbin, each of said wire windings exhibiting a lattice winding pattern having about 1 to about 4 crossover per turn, and magnetic core disposed in said hollow channel of the bobbin.
A cartridge 300 for capillary electrophoresis includes a housing which includes a base 202 at least partially defining a cavity 250 defining a cavity volume. A cover plate 304 that is secured to the base 202 defines a window. A volume displacement structure 360 projects from at least one of the base 202 and the cover plate 304 and into the cavity 250 when the cover plate is secured to the base. The volume displacement structure 360 and cavity 250 together at least partially define a coolant liquid flow path 366 having a coolant liquid flow path volume less than the cavity volume. A plurality of capillaries 326 is disposed in the coolant liquid flow path. Each of the plurality of capillaries includes a capillary inlet 222 and a capillary outlet 224 projecting from the base.
A method of performing negative electron activation dissociation (negative EAD) in mass spectrometry includes introducing a plurality of negatively charged analyte ions into an ion trap positioned in a chamber and trapping said negatively charged analyte ions in a reaction region of said ion trap, introducing a buffer gas into the chamber, using an electron source positioned in the chamber and external to the ion trap to generate electrons, and accelerating the electrons to form an electron beam and introducing the electron beam into the ion trap such that the accelerated electrons are capable of ionizing at least a portion of molecules of the buffer gas to generate a plurality of positively charged ions. The accelerated electrons interact with at least a portion of the analyte ions trapped in said reaction region to cause negative EAD thereof, thereby generating a plurality of fragment product ions.
A system for analyzing mass spectra of a deprotonated oligonucleotide comprises a mass spectrometer configured to collect mass spectrometry data and an analyzer module configured to receive and analyze the mass spectrometry data by identifying experimental isotopic peaks corresponding to a precursor ion generated from the deprotonated oligonucleotide; determining characteristics of the precursor ion; identifying experimental isotopic peaks corresponding to a fragment ion generated from the precursor ion; determining characteristics of the fragment ion; selecting a candidate fragment for the fragment ion; determining mass shifted isotopic peaks of the candidate fragment based on data that include the characteristics of the precursor ion and the characteristics of the fragment ion; comparing the experimental isotopic peaks corresponding to the fragment ion and the mass shifted isotopic peaks of the candidate fragment; and identifying the fragment ion as the candidate fragment based on the comparing.
A method of dissociating an analyte in a mass spectrometer includes ionizing the analyte to generate a plurality of ions of the analyte, introducing and trapping the analyte ions into an ion trap, using an electron source to generate electrons, introducing a gas comprising a reagent molecule into a region between the electron source and a gate electrode, and using the gate electrode to cause ionization of the reagent molecules thereby generating a plurality of ions of the reagent molecule. The electron source inhibits entry of the accelerated electrons into the ion trap, the gate electrode is maintained at an electric potential to accelerate the reagent ions for entry into the ion trap as a positively charged ion beam, and the ion beam causes negative electron transfer dissociation of at least a portion of the analyte ions.
A method of dissociation of an oligonucleotide in a mass spectrometer includes introducing the oligonucleotides into an electrospray ionization source operated in a negative mode to cause deprotonation of said oligonucleotide for generating a negatively charged ion of said oligonucleotides, trapping said negatively charged oligonucleotide ions in linear radiofrequency (RF) ion traps with T bar electrodes, filling the linear ion trap with a buffer gas, and using a resonant dipole AC excitation signal applied to the T bar electrodes to resonantly excite the negatively charged oligonucleotide ions at secular frequencies thereof to cause selective fragmentation of said negatively charged oligonucleotide ions via collision with molecules of said buffer gas.
A method and system of data acquisition in an acoustic ejection mass spectrometer including a plurality of reservoirs, each reservoir containing a sample, the method including scheduling a plurality of ejection events for the plurality of reservoirs, setting an analysis method for each ejection event, ejecting a first sample at a first ejection time, starting a first analysis method of the ejected first sample at a first start time, ejecting a second sample at a second ejection time, and starting a second analysis method of the ejected second sample at a second start time, the second start time being or equal to or earlier than the first end time. For example, before starting the first analysis method, it is determined whether an ejection of the first sample has occurred, and if the ejection of the first sample is determined not to have occurred, the second sample is ejected.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
Calibration of a droplet dispenser includes providing a liquid sample including a calibrant and, for each liquid level of a range of different liquid levels providing the liquid sample to a set of wells at the liquid level. Further, over a range of different droplet dispenser parameters, the droplet dispenser is used to dispense droplets from the set of wells into a flowing transport fluid. A mass of calibrant ions generated from the flowing transport fluid is measured using a mass spectrometer. Volumes of the droplets from are determined from the calibrant mass.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
H01J 49/00 - Particle spectrometers or separator tubes
77.
SYSTEMS AND METHODS FOR AUTOMATIC SAMPLE RE-RUNS IN SAMPLE ANALYSYS
A method and system for correcting a measurement in a sample analyzing system, the method including receiving a first sample at an interface of the sample analyzing system, the first sample being a portion of a sample source; measuring a first signal for the received first sample to generate a measured first signal; comparing the measured first signal to an expected characteristic of the sample analyzing system to determine whether the measured first signal is valid; and when the measured first signal is determined not to be valid: taking one or more corrective actions on one of the sample analyzer and the sample source; receiving a second sample at the sampling interface, the second sample being another portion of the sample source; and measuring a second signal for the received other sample to generate a measured second signal.
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
H01J 49/00 - Particle spectrometers or separator tubes
A temperature regulation system for samples in a microplate includes a housing defining an interior volume and first and second airflow ports defined by a first and second exterior surfaces of the housing. The system includes an electromagnetic mixing system that has a base plate defining a plurality of openings, and a plurality of electromagnets. Each electromagnet defines an axis that extends substantially vertically from the base plate. The base plate is disposed in the interior volume and each of the plurality of electromagnets extend toward the first airflow port. A fan is disposed in the interior volume substantially below the base plate. Activation of the fan draws air into the first or second airflow port, substantially parallel to each axis of the plurality of electromagnets, through the plurality of openings, and out of the other of the second and first airflow port.
A method for processing a sample in a container includes introducing the sample to the container. A cap is applied to the container. The cap contains a plurality of beads. The plurality of beads is mixed with the sample. The plurality of beads is separated from the sample. Subsequent to removing the plurality of beads, a further process is initiated.
In one aspect, a mass spectrometer is disclosed, which comprises an ion source configured to receive a sample and ionize at least one analyte in the sample to generate a plurality of analyte ions, and 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. The mass spectrometer can further include 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 said first and second portions of the ions exiting the ion routing device.
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, andat 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.
A method for performing mass spectrometry comprises generating a plurality of ions from an analyte; directing the plurality of ions into an ion detector to generate a plurality of ion detection signals; generating a plurality of data points corresponding to the plurality of ion detection signals, each data point of the plurality of data points representing an intensity of detected ions as a function of an X-parameter, wherein the X-parameter is a function of a mass-to-charge ratio for the detected ions; identifying a cut off intensity corresponding to a set of cut off data points of the plurality of data points; identifying a set of selected data points of the plurality of data points based on the set of cut off data points; and deriving from the set of selected data points at least one characteristic corresponding to a maximum point associated with the plurality of data points.
In one aspect, a method for mass spectrometric analysis of analyte ions is disclosed, which includes filtering a plurality of ions to sequentially transmit a plurality of precursor ion subsets to a charge reduction device (e.g., a proton reaction device). For each precursor ion subset, a charge reduction reaction is performed within the proton reaction device to generate a set of charge-reduced precursor ions associated with one of the precursor ion subsets. One or more portions of the set of charged-reduced product ions associated with each respective precursor ion subset are selectively transmitted to a fragmentation device. The charge-reduced precursor ions are fragmented in the fragmentation device to generate a set of fragment ions associated with each respective precursor ion subset and mass spectra of each set of fragment ions associated with a respective precursor ion subset are generated.
Various embodiments, systems, components, devices, and combinations thereof are provided that generate a data signal from a sample and correlate features in the data signal with features in a template by shifting features of the data signal along the time axis. Such temporal shifting may better align or correlate features in the data signal with features in the template. The features in shifted data may then be compared to the features in the template to determine whether the sample contains the respective features represented by the template.
In one aspect, a method of performing mass spectrometry is disclosed, which includes selecting a precursor ion having an m/z ratio in a range of interest from among a plurality of ions, identifying a charge state of the selected precursor ion, e.g., based on distribution of mass peaks associated with different isotopes in a mass spectrum. The charge state of the selected precursor ion can be reduced to generate a respective charge-reduced ion at a known m/z ratio. The charge-reduced ion can be subjected to fragmentation to generate a plurality of product ions (which are herein also referred to as fragment ions). A mass analysis of the product ions can then be performed.
In one aspect, a method for monitoring a bias voltage applied to an ion detector of a mass spectrometer is disclosed, which comprises applying an initial bias voltage to the ion detector, using the ion detector with the initial bias voltage applied thereto to acquire at least two viable ion detection signals corresponding to at least two different ion signal detection threshold values, and using said at least two viable ion detection signals to determine whether an adjustment of said bias voltage is required.
A method for scoring a bond of a polymeric compound of a sample from evidence determined from an experimental a product ion spectrum measured from the sample. At least one experimental product ion spectrum is received for the polymeric compound. One or more product ions of the at least one spectrum are assigned to at least one bond of the polymeric compound. At least two different types bond level scores are calculated for the at least one bond from the assigned matching one or more product ions. The at least two different bond level scores are combined, producing a combined bond score for the at least one bond. Additionally, a combined bond score is found for each bond of the polymeric compound and the combined bond scores are calculated as a function of the position of the bonds in the polymeric compound, producing a score profile for the polymeric compound.
A mass spectrometry system comprises an ion mobility separation device (IMSD) configured to receive a plurality of ions, and to perform an ejection of a set of ions of the plurality of ions by adjusting a set of mobility control parameters to a set of mobility parameter values; a mass analyzer configured to receive the set of ions, to perform a detection of the set of ions, and to generate a set of detection signals corresponding to the detection of the set of ions; and a controller configured to receive data including the set of mobility control parameter values and the set of detection signals, and to perform a mapping of the set of mobility control parameter values and the set of detection signals.
A user interface is provided for displaying in the same panel and at the same time a sequence of a polymeric compound and multiple pieces of spectral evidence from an experimental product ion spectrum that are linked to a bond of the sequence. The sequence and the spectrum of the polymeric compound are received, where one or more product ions of the spectrum are assigned to at least one bond of the sequence. The sequence is displayed in a panel of a display device with at least one interactive icon between at least two elements of the sequence representing the bond. When the interactive icon is selected, at least two different spectral plots of the spectrum showing two different product ions of the spectrum that support a cleavage of the bond are displayed in the same panel of the sequence and at the same time as the sequence.
In a method for determining if internal product ions are used to provide evidence for a bond of a polymeric compound, two or more theoretical product ions resulting from the cleavage of at least one bond of the sequence of the compound are calculated. A product ion spectrum is searched for the theoretical product ions. The theoretical internal product ions are calculated and the spectrum is searched for the theoretical internal product ions if one or more theoretical product ions of the theoretical product ions match a product ion of the spectrum. In another embodiment, a mass tolerance is automatically determined for comparing theoretical mass peaks to mass peaks of an experimental mass spectrum using the subset of product ions most likely to be found for the fragmentation method used. In another embodiment, charge filtering is used to find an experimental product ion of a compound.
Known mass spectral data of a library of spectra corresponding to known compounds or known mass spectral data determined from a database of known compounds are compressed using a neural network encoder, producing a group of corresponding compressed known representations of known mass spectral data. Experimental mass spectral data of an experimental mass spectrum is compressed using the neural network encoder, producing a compressed experimental representation of the experimental mass spectral data. The experimental representation is compared to the group of known representations and each comparison is scored. At least one comparison with a score above a predetermined score threshold is selected. A known compound is determined from the selected at least one comparison. The known compound is identified as a compound of the experimental spectrum.
System and method for high-throughput mass spectrometry are disclosed. In some embodiments the system comprises a sample introduction device, an ion source, an ion mobility separation device, a mass analyzer and a controller adapted to receive certain parameters from the IMSD and determine a mass range for more efficient operation of the mass analyzer. In some embodiments, the controller is adapted to provide data to, and receive data from other components to make the operation of the IMSD and the mass analyzer more efficient.
H01J 49/00 - Particle spectrometers or separator tubes
G01N 27/62 - Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosolsInvestigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating electric discharges, e.g. emission of cathode
H01J 49/42 - Stability-of-path spectrometers, e.g. monopole, quadrupole, multipole, farvitrons
93.
HIGH-THROUGHPUT ANALYSIS USING ION MOBILITY AND MASS SPECTROSCOPY
In one aspect, a method of operating a high-throughput mass analysis device is disclosed, which includes sampling an unseparated sample from at least one sample holding element during a sampling interval for introduction of the sample into an ion source for ionizing the sample to generate a plurality of ions associated with at least one target analyte (herein also referred to as a target compound), if any, in said sample for delivery to an ion mobility separation device, and activating at least one control parameter of said ion mobility separation device for detection of said ions based on timing of the sampling of the sample and at least one identifier associated with the sample.
H01J 49/00 - Particle spectrometers or separator tubes
H01J 49/04 - Arrangements for introducing or extracting samples to be analysed, e.g. vacuum locksArrangements for external adjustment of electron- or ion-optical components
G01N 27/62 - Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosolsInvestigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating electric discharges, e.g. emission of cathode
94.
SYSTEMS AND METHODS FOR CAPILLARY ISOELECTRIC FOCUSING-MASS SPECTROMETRY (CIEF-MS) ISOELECTRIC POINT (pl) CALIBRATION
Systems and methods for performing calibration of compound markers in mass spectrometry (MS) detection are presently claimed and described. The example systems and methods provide for automatic identification of all or substantially all pI markers in a sample, constructing a calibration curve of pI and time, and/or converting the time scale into pI scale. Given the correlation between the time and pI scales, pI can be correlated to intensity and presented to an operator for further analysis.
Mass analysis systems, computing systems, non-transitory computer-readable media, and methods analyze peaks of interest in a mass spec data signal while accounting for acquisition parameters of a mass spectrometer that affect noise present in the mass spec data signal.
A method and system include receiving a charge series spectrum having charge series peaks, determining reconstructed mass values based on the received charge series spectrum, displaying the reconstructed mass values, receiving a selection of a displayed reconstructed mass value, and displaying a plurality of icons including a marker and a corresponding charge series peak, the marker identifying a charge of the spectrum. Another method and system include receiving a charge series spectrum having charge series peaks, determining reconstructed mass values based on the received charge series spectrum, and for each reconstructed mass value, determining a plurality of markers corresponding to charges of the charge series and having a corresponding charge series peak, and determining that the reconstructed mass value is a probable artifact when a difference between one of the markers and a local maximum of the corresponding charge series peak is greater than a threshold.
A measured mass spectrum and intensity data provided as a function of m/z and at least one additional dimension are received. Peaks of the measured spectrum are compared to peaks of each of a plurality of library mass spectra. A set of library mass spectra is identified using a fit score. For each spectrum of the set, a group of related peaks of the measured spectrum calculated using a deconvolution algorithm is recalculated. The recalculation lowers a threshold for selection in the group if a matching peak of the library spectrum contributed to the fit score. A group of related peaks of the measured spectrum is produced for each library spectrum. For each spectrum of the set, peaks of the group are compared to peaks of the library spectrum and a purity score is calculated. At least one library spectrum of the set with the highest purity score is identified.
Methods and systems for controlling a filament of an electron emitter associated with an ion reaction cell in accordance with various aspects of the present teachings may account for inter-filament and inter-instrument variability and can provide improved reproducibility in EAD experiments and ease of use. In some aspects, a method of operating an ion reaction device of a mass spectrometer system is provided. The method comprises applying a calibration drive voltage to a filament of an electron emitter associated with an ion reaction cell and determining a value representative of the calibration electron emission current generated by the filament while having the calibration drive voltage applied thereto. A calibration saturation voltage can be determined by iteratively increasing the calibration drive voltage applied to the filament and determining the value of the calibration electron emission current at each corresponding calibration drive voltage until the filament reaches a saturation condition.
A method and system for detecting a signal measurement error, the method including providing a well plate including error correction wells and sample wells, each sample well including a single sample, and each error correction well including a mixture of samples from two or more sample wells. The method includes receiving an aliquot from the wells at a sample receiver, measuring a signal for the received aliquot, calculating an expected signal for each of the error correction wells, comparing the measured signal to the calculated expected signal for each error correction well, and determining whether an error exists in the signal of at least one sample well. When the error exists, the method correlates the error to one or more sample wells.
The presently claimed and described technology provides methods for analyzing an encapsulated biomolecule by loading the encapsulated biomolecule on a capillary electrophoresis (CE) capillary, wherein the CE capillary is filled with a buffer comprising a polymer matrix; applying a voltage to the CE capillary to release the biomolecule from the encapsulating material; and detecting the biomolecule released from the encapsulating material. Kits for analyzing an encapsulated biomolecule are also disclosed.
patents
