A mass spectrometer includes a control system arranged to assess an operational state of the mass spectrometer. When a fault is detected, the control system assigns the fault to one of a plurality of categories, including a first category of faults which may be attempted to be rectified automatically by the mass spectrometer, a second category of faults which may be attempted to be rectified by the user, and a third category of faults which may only be attempted to be rectified by a service engineer. When a fault is assigned to the first category of faults, the control system initiates an attempt to automatically rectify the fault. When a fault is assigned to the second category of faults, the control system causes information relating to the fault to be displayed to the user, including data indicative of the fault and data one or more steps to be taken by the user to attempt to rectify the fault (2000). When a fault is assigned to the third category of faults, the control system causes information relating to the fault to be displayed to the user including data indicative of the fault, and an indication that the user should call a service engineer.

Embodiments of the present disclosure provide a real-time calibration device, a real-time calibration method and a detection apparatus. The real-time calibration device is in fluid communication with a sample injection pipeline of the apparatus to be calibrated. The real-time calibration device is configured to release a trace amount of calibration agent molecules during a sample injection of the apparatus to be calibrated, so that the trace amount of calibration agent molecules and a sample entering the apparatus to be calibrated are mixed and together enter the apparatus to be calibrated, and information of the sample and the calibration agent is detected by the apparatus to be calibrated, thereby performing a calibration.

Systems for analyzing a biological sample include a separation unit configured to separate a component from the biological sample, an ionization unit configured to generate a plurality of ions from the component, an adjustable mass-selective filtering element, a detector configured to detect ions that pass through the mass-selective filtering element, and a controller connected to the mass-selective filtering element and to the detector, where the controller is configured so that during operation of the system, the controller adjusts the mass-selective filtering element and activates the detector to measure at least three different ion signals corresponding to the plurality of ions, and determines a mass axis shift of the system based on the at least three different ion signals.

The invention relates to a method to evaluate mass spectrometry data for the analysis of peptides from biological samples, particularly MALDI-TOF mass spectrometry data, comprising the steps of: providing expected mass defects; determining measured mass defects, i.e. the mass defects resulting from the mass spectrometry data; and comparing the measured mass defects with the expected mass defects.

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.

A method for determining in a sample, by mass spectrometry, the amount of one or more analytes selected from the group consisting of N-acetylthreonine, TMAP, phenylacetylglutamine, tryptophan, creatinine, meso-erythritol, arabitol, myo-inositol, N-acetyl serine, N-acetylalanine, 3-methylhistidine, trans-4-hydroxyproline, kynurenine, urea, C-glycosyltryptophan, 3-indoxyl sulfate, pseudouridine, and combinations thereof is described. The method comprises subjecting the sample to an ionization source under conditions suitable to produce one or more ions detectable by mass spectrometry from each of the one or more of the analytes; measuring, by mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and using the measured amount of the one or more ions to determine the amount of each of the one or more analytes in the sample. Also described is a kit comprising one or more isotopically labeled analogues as internal standards for each of the one or more analytes.

Method and system for characterising an isolation profile of a mass spectrometer, the method comprising obtaining data of an, or at least one ion species transmitted by a mass spectrometer forming an isolation profile of the mass spectrometer. Normalizing the obtained data. Providing the normalized data to a deep neural network trained using a plurality of previous isolation profiles. Generating from the deep neural network a set of fit parameters of a curve representing a fit to the normalized data. Providing as an output, data representing the curve. The method may also be used as part of a calibration procedure for the mass spectrometer.

A system includes a first type of sensor and an estimation system that is connected to first type of sensor. The estimation system is configured to (a) identify a best peak shape for estimation of known gas mixtures by analyzing characterization data across known gas mixtures, with added noise, using machine learning, (b) generate a plurality of actual peak shapes, in first type of sensor, for several different instances using standard gas mixtures to provide an actual peak shape among the plurality of peak shapes as calibrating input to calibrate first type of sensor and (c) calibrate first type of sensor by automatically adjusting parameters of first type of sensor for optimizing actual peak shape to match with desired peak shape.

The present invention discloses novel calibrants containing between 1 and 5 iodine atoms and methods of making them using linear polymers, hyperbranched polymers, and biological polymers (including but not limited to proteins and peptides.) Methods of using the calibrants are also disclosed, such as mass spectrometry. The novel calibrants disclosed herein have a more cost- and time-efficient synthesis than other calibrants.

An optimal value is calculated for at least one parameter of an ADE device, an OPI, or an ion source device. For each value of a plurality of parameter values for at least one parameter of the ADE device, the OPI, or the ion source device, three steps are performed using a processor. First, the at least one parameter is set to the value. Second, the ADE device, the OPI, the ion source device, and a mass spectrometer are instructed to produce one or more intensity versus time mass peaks for a sample. Third, a feature value is calculated for at least one feature of the one or more intensity versus time mass peaks. A plurality of feature values corresponding to the plurality of parameter values is produced. An optimal value is calculated for the at least one parameter from the plurality of feature values.