247results about "Particle spectrometer methods" patented technology

A method of mass spectrometry comprising: a) providing a mass spectrometer having a time of flight (TOP) mass analyser: b) performing a survey scan comprising separating a packet of precursor ion species and mass analysing ions so as to obtain first mass spectral data: c) determining a time window over which one of the precursor ion species. or fragment or product ions derived therefrom, were mass analysed: d) separating another packet of precursor ion species and mass analysing ions so as to obtain second mass spectral data. wherein the pusher of the TOP mass analyser is pulsed according to a plurality of consecutive pulse sequences during a plurality of respective pulse sequence time periods. wherein each pulse sequence consists of consecutive pushes that are arranged such that the duration between any pair of pushes in the pulse sequence is different to the duration between any other pair of pushes within the pulse sequence: f) selecting mass spectral data, from the second mass spectral data, that was obtained during a time period corresponding to said time window of the survey scan, so as to obtain selected data; g) repeating steps d) to f) at least one further time such that multiple sets of said selected data are obtained; combining said multiple sets of selected data and decoding the combined data to obtain mass spectral data representative of the mass to charge ratios of the ions detected by the TOP mass analyser.

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.

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

And re-sampling triggered by uncertain results in mass spectrum screening. The invention provides a system / technical scheme for promoting repeated sample injection triggered by uncertain results in mass spectrum screening. In various embodiments, the system may access a screening list specifying a plurality of target compounds. In aspects, the system can classify a plurality of target compounds as present or absent in a sample, respectively, based on causing a chromatograph and a mass spectrometer to perform an iterative injection scheme on the sample, with subsequent iterations of the iterative injection scheme having progressive compound selectivity, and is triggered by the uncertain presence or absence of the classification result in the previous iteration.

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 method for a structural analysis of a sample molecule using a mass spectrometer includes: a process for obtaining a standard analysis condition for each of setting items for performing a molecular-related ion measurement, where the setting items include an ion amount setting item, a mass-to-charge-ratio range setting item, and a signal intensity setting item; a process for performing a product ion measurement under an altered analysis condition, to acquire mass spectrum data of the product ion measurement, where the altered analysis condition is prepared by changing at least one of analysis conditions of the ion amount setting item, the mass-to-charge-ratio range setting item and the signal intensity setting item in the standard analysis condition; a process for extracting peaks corresponding to the fragment ions; and a process for determining at least a portion of the structure of the sample molecule based on mass information of the extracted peaks.

Systems and methods are disclosed for automated method parameter configuration for differential mobility separations. As non-limiting examples, various aspects of this disclosure provide receiving a sample in an open port interface; transferring the sample to an ionization source; ionizing the transferred sample; introducing the ionized sample into a mass spectrometer; mass analyzing the ionized sample to produce an initial mass analysis result; determining a peak width of the initial mass analysis result; and determining a dwell time for subsequent measurements based on the determined peak width, a pre-defined number of data points across subsequent mass analysis peak widths, and a number of different analytes to be assessed for the sample. The sample may be diluted and transferred to the ionization source by a sample introduction apparatus selected from a group including an acoustic droplet ejector (ADE), a pneumatic ejector, a piezoelectric ejector, and a hydraulic ejector.

An isotope ratio spectrometer is operated for measurement of a sample. First isotope ratios and first signal intensities are measured for a reference in the spectrometer, over a first measurement time period. A first relationship comprising a relationship between the first isotope ratios and the first signal intensities is determined. Sample isotope ratios and sample signal intensities are measured in the spectrometer, over a second measurement time period subsequent to the first measurement time period. Second isotope ratios and second signal intensities for a reference are measured in the spectrometer, over a third measurement time period subsequent to the second measurement time period. A second relationship comprising a relationship between the second isotope ratios and the second signal intensities is determined. A reference isotope ratio is estimated for a time X within the second measurement time period, based on the first relationship and the second relationship.

The invention relates to the quantitative measurement of steroidal compounds by mass spectrometry. In a particular aspect, the invention relates to methods for quantitative measurement of steroidal compounds from multiple samples by mass spectrometry.

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 optimizing at least one parameter setting of at least one mass spectrometry device (110) operating at unit resolution is disclosed. The method comprises the following steps:a) determining at least one analyte detection window for detecting an analyte of interest with the mass spectrometry device (110), wherein the analyte detection window is defined by a central mass to charge ratio value of the analyte and a predefined width, wherein the central mass to charge ratio value of the analyte is set to a theoretical mass to charge ratio value of the analyte of interest having more than one decimal place and / or a mass to charge ratio value of the analyte of interest determined by a high resolution mass spectrometry measurement having more than one decimal place;b) determining at least one internal standard detection window for detecting an internal standard substance with the mass spectrometry device (110), wherein the internal standard detection window is defined by a central mass to charge ratio value of the internal standard substance and the pre-defined width, wherein the central mass to charge ratio value of the internal standard substance is set to a mass to charge ratio value of the internal standard substance calculated relative to the analyte of interest and having more than one decimal place and / or to a mass to charge ratio value of the internal standard substance determined by a high resolution mass spectrometry measurement having more than one decimal place.

A sampling interface 100 for use in mass spectroscopy apparatus, comprising: an inlet 110 for receiving a quantity of particles from an ion source; a skimmer 115 having an aperture arranged downstream

A miniature electrode apparatus is disclosed for trapping charged particles, the apparatus includes, along a longitudinal direction, a first end cap electrode, a central electrode having an aperture, and a second end cap electrode. The aperture is elongated in the lateral plane and extends through the central electrode along the longitudinal direction and the central electrode surrounds the aperture in a lateral plane perpendicular to the longitudinal direction to define a transverse cavity for trapping charged particles. Electric fields can be applied in a y-direction of the lateral plane across one or more planes perpendicular to the longitudinal axis to translocate and / or manipulate ion trajectories.

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.

To provide methods and related kits for detecting early stage pancreatic ductal adenocarcinoma, and methods of treating a patient susceptible, or suspected of being susceptible, to pancreatic ductal adenocarcinoma.SOLUTION: A method of determining susceptibility of a patient to pancreatic ductal adenocarcinoma is provided, the method comprising obtaining a biological sample from the patient, measuring the level of CA19-9 antigen in the biological sample, measuring the level of TIMP1 antigen in the biological sample, and measuring the level of LRG1 antigen in the biological sample, where the amounts of CA19-9 antigen, TIMP1 antigen, and LRG1 antigen classifies the patient as being susceptible to pancreatic ductal adenocarcinoma or not susceptible to pancreatic ductal adenocarcinoma.SELECTED DRAWING: None

To provide an improved method for acquiring mass spectral data.SOLUTION: There is provided a method for acquiring mass spectral data of a sample across at least a portion of an m / z range. The method includes: receiving mass spectral data of the sample across the m / z range; partitioning the m / z range into a plurality of m / z bins; and performing mass spectrometry on the sample for each set of m / z sub-ranges, thereby acquiring one or more partial mass spectral data sets.

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

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

A system for controlling experiment execution. The system includes an instrument electronic device and a workflow electronic device. The workflow electronic device includes an electronic processor. The electronic processor is configured to receive a submission request via a web application. The submission request includes an experiment design including an acquisition task. The electronic processor is also configured to receive an acquisition rule including pass criteria and an action to take when acquired data does meet not the pass criteria. The electronic processor is further configured to associate the acquisition rule with the acquisition task generate a request to perform the acquisition task, and send, to the instrument electronic device, the request to acquire data. The electronic processor is also configured to determine whether the acquired data meets the pass criteria and, in response to determining the acquired data does not meet the pass criteria, perform the action.

Scientific instrument support systems and related methods, computing devices, and computer readable media are disclosed herein. For example, in some embodiments, an apparatus includes a sample introduction device and a mass spectrometer. The mass spectrometer includes a first logic to receive a sample from a queue, the sample including an analyte; a second logic to determine instrumentation method and data analysis parameters based on a property of the analyte; and a third logic to process the sample by applying the instrumentation method and data analysis parameters.

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

Disclosed herein are scientific instrument support systems, as well as related methods, computing devices, and computer-readable media. For example, in some embodiments, an instrument includes a sample introduction device and a mass spectrometer. The mass spectrometer includes first logic for receiving a sample containing an analyte from a queue, second logic for determining instrument methods and data analysis parameters based on a property of the analyte, and third logic for processing the sample by applying the instrument methods and data analysis parameters.

An ion source is disclosed that comprises a positioning assembly that can position a sprayer with respect to an ion inlet. The ion source includes a first imaging device that can provide a first view of a position of the sprayer with respect to the ion inlet, and a second imaging device that can provide a second, different view of a position of the sprayer with respect to the ion inlet. The second view has a higher magnification than the first view.

A sampling interface enables the sampling of ions in a mass spectrometer for subsequent spectroscopic analysis. The sampling interface comprises: an inlet receiving a quantity of particles from an ion source, the quantity of particles including ions for spectroscopic analysis; a skimmer downstream of the inlet and comprising an aperture through which particles from the inlet pass; an extraction lens downstream of the skimmer and configured for extracting ions from the particles passed through the aperture at the skimmer; an adjustable voltage source applying a bias voltage to the extraction lens so as to generate an electric field in at least a region between the extraction lens and the skimmer; and a controller controlling the adjustable voltage source to apply a bias voltage to the extraction lens, in order to control the reduced electric field in the region immediately downstream of the skimmer.

Methods for acquiring mass spectral data of a sample across at least a portion of an m / z range include receiving mass spectral data of the sample across the m / z range. The m / z range is partitioned into one or more sets of m / z sub-ranges, each set comprising one or more m / z sub-ranges, by dividing the m / z range into a plurality of m / z bins, determining an indication of ion abundance for each m / z bin, based on the mass spectral data, and forming an m / z sub-range of the one or more sets of m / z sub-ranges by assigning m / z bins having ion abundances that correspond to at least a threshold degree to the formed m / z sub-range. A mass analysis is performed on the sample for each set of m / z sub-ranges, thereby acquiring one or more partial mass spectral data sets.

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

A pump management system may determine an operating mode for a mass spectrometer; set, based on the operating mode, a pump speed of a turbo pump used to create one or more vacuum stages for the mass spectrometer; and cause the turbo pump to operate at the pump speed while the mass spectrometer operates in accordance with the operating mode. Additionally or alternatively, the pump management system may monitor, using one or more instruments external to the turbo pump, a condition associated with the mass spectrometer while the mass spectrometer operates in accordance with the operating mode; determine, based on the monitoring, that the condition changes by more than a threshold value; and adjust, based on the condition changing by more than the threshold value and while the mass spectrometer is in operation, the pump speed.

The invention relates to an imaging elemental analyzer for imaging one or more analyte elements in an organic sample, wherein the analyzer comprises: a chamber for receiving an organic sample containing one or more analyte elements to be imaged, wherein the internal chamber pressure surrounding the sample is in the range of 10 -5 up to 10 -2mbar; at least one irradiant selected from: (i) an ion gun for irradiating the sample with a high-intensity primary ion beam, wherein the primary ions are generated in the ion gun at a pressure below 1 mbar, the ion gun serving to focus the primary ion beam onto a localized spot on the sample surface and to move the spot over time to a plurality of locations on the sample surface; (ii) a laser for irradiating a localized spot on the sample surface and to move the spot over time to a plurality of locations on the sample surface; a gas-filled RF ion guide for receiving the generated ions, comprising the elements released from the sample in response to irradiation by the primary ions or the laser, wherein the RF ion guide prevents the propagation of any ions whose m / z values ​​are less than the mass or mass range of the analyte elements;and a time-of-flight (TOF) mass analyzer for recording the ions or reaction products of the secondary ions formed from the RF ion guidance, wherein the TOF mass analyzer is configured for a repetition rate of at least 5 kHz. The invention also relates to a corresponding method and a corresponding device for imaging one or more inorganic, non-volatile elements.

Disclosed herein are scientific instrument support systems, as well as related methods, computing devices, and computer-readable media. For example, in some embodiments, a scientific instrument support apparatus comprising first logic to generate an electrical signal in a first component of a scientific instrument, wherein the generated electrical signal induces, through capacitive coupling, an electrical response signal in a second component of the scientific instrument, second logic to monitor the electrical response signal induced in the second component, third logic to determine an operational status of the second component based on the monitored electrical response signal, wherein the operational status indicates that the second component is not functioning properly when the monitored electrical response signal is not within a predetermined signal range is disclosed.