Abstract: In a system for affinity selection by mass spectrometry, wherein a plurality of drug candidates in solution are separated based on affinity, a method is provided comprising introducing a solid-phase device having binding affinity for a selected protein into the solution, binding at least one of the plurality of drug candidates to the solid-phase device as a selected drug candidate, washing the solid-phase device and selected drug candidate to separate unbound material, sampling the selected drug candidate in capture fluid flowing through a sampling region of an open port sampling interface and directing the sampled selected drug candidate and capture fluid to an ionization source.

Abstract: Methods and systems for performing differential mobility spectrometry-mass spectrometry (DMS-MIS) are provided herein. In various aspects, methods and systems described may be effective to improve the performance of a differential mobility spectrometry device and a MS device operating in tandem relative to conventional systems for DMS-MS. In certain aspects, methods and systems in accordance with the present teachings utilize an ion guide which comprises a multipole rod set and a plurality of auxiliary electrodes to which a DC voltage is applied during transmission of ions through the ion guide so as to generate an axial electric field along a longitudinal axis of the ion guide to accelerate the ions toward the outlet end of the ion guide.

Abstract: Mass spectra are received over time for a compound of interest. A primary XIC is calculated for a primary product ion of the compound and a secondary XIC is calculated for a secondary product ion from the mass spectra. A primary value is calculated from a combination of intensities of one or more points corresponding to one or more times of a primary peak of the primary XIC and a secondary value is calculated from a combination of intensities of one or more points corresponding to the one or more times of a secondary peak of the secondary XIC. Or, the primary value is calculated as an area of a time window within the primary peak and the secondary value is calculated as an area of the time window within the secondary peak. A ratio is calculated from the primary value and the secondary value.

Abstract: Systems and methods are disclosed for RF amplitude auto-calibration for mass spectrometry. As non-limiting examples, various aspects of this disclosure provide in a mass spectrometer comprising an RF gain block, a peak detector, and a controller: applying a DC voltage to the coil using the controller; measuring a DC calibration voltage using the peak detector; applying an RF voltage to the RF gain block using the controller; measuring an RF calibration voltage; calculating an RF calibration factor based on the measured calibration voltages using the controller; and during operation, and applying a combined RF and DC signal to the RF gain block based on the RF calibration factor. The DC voltage may be generated utilizing a first signal sent from the controller to the RF gain block via a DC amplifier.

Abstract: A system for analyzing a sample includes a sample preparation sub-system for preparing at least one sample in a sample vessel and a magnetic bead storage sub-system. A sample intake sub-system receives the at least one sample. A mass spectrometer (MS) is communicatively coupled to the sample intake sub-system. A transfer sub-system includes a tool for moving the sample vessel from the sample preparation sub-system to the sample intake sub-system.

Abstract: A curtain chamber includes an orifice plate defining an orifice plate bore. A curtain plate is disposed adjacent to the orifice plate and defines a curtain plate bore. The orifice plate bore is disposed adjacent the curtain plate bore. A biasing element includes a first portion disposed in the orifice plate bore and a second portion disposed in the curtain plate bore. The biasing element biases the curtain plate towards the orifice plate. A race is defined by at least one of the orifice plate and the curtain plate. The race defines a race depth. A seal is disposed in the race. The seal includes an uncompressed seal depth greater than the race depth and a compressed seal depth less than the uncompressed seal depth.

Abstract: In one aspect, systems and method are provided for calibrating a hybrid mass spectrometer. The calibration may include, for instance, an accurate mass calibration and a nominal mass calibration performed across a plurality of transmission widths and scanning speeds applied for each reference standard, ideally each reference standard representing a different m/z, to produce a matrix of correction factors corresponding to each of the transmission width and scanning speed pairs at the m/z values for the reference standards evaluated. A multi-parameter interpolation may be applied to identify a correction factor to be used for a subsequent analysis transmission width and scanning speed pair that differs from the plurality of transmission widths and scanning speeds used to produce the correction factors.

Abstract: 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.

Abstract: A mass spectrometer that includes a mass filter and a TOF mass analyzer receives the ion beam from an ion source device that ionizes a compound of a sample. The mass filter selects a precursor ion mass range and the mass analyzer mass analyzes the mass range. A continuous flow of selected precursor ions is maintained between the mass filter and the mass analyzer. A first set of parameters is applied to the mass spectrometer to produce a resolution above a first resolution threshold. A space charge effect is detected by determining if the measured TIC exceeds a TIC threshold or the measured resolution is less than the first resolution threshold. If a space charge effect is detected, at least one precursor ion transmission window with a width smaller than the mass range is applied to the ion beam by the mass filter and mass analyzed to reduce the space charge.

Abstract: Disclosed are methods for separating target and non-target analytes in a sample. The methods can utilize an acoustic droplet ejector (ADE) and an open port interface (OPI) to achieve liquid chromatography (LC)-like separation for an analytical instrument such as, for example, a mass spectrometer.

Abstract: 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.

Abstract: During an accumulation time period of each time cycle of an ion guide and before a ramped AC voltage is applied to at least one set of axial rods to eject ions according to m/z value, a number of steps are performed. Ions are received from outside of the ion guide through an entrance aperture and into a first cell. A low DC voltage is applied to a barrier electrode to receive ions from the first cell into a second cell. And, a high DC voltage is applied to an exit electrode to prevent ions from exiting the ion guide. During a cooling time period before the AC time period, a high DC voltage is applied to the barrier electrode to trap and cool ions in the second cell and to continue to receive ions into the first cell without being affected by the ramped AC voltage.

Abstract: A system includes a capillary having a first end connected to a sampling device and a second end. The sampling device is configured to separate a sample with a separation solution and deliver the sample and the separation solution to the second end. The second end is coupled to a capillary ground contact. A transport liquid supply system in fluidic communication with a transport liquid supply conduit provides a transport liquid from a transport liquid source through the transport liquid supply conduit. The transport liquid provided from the transport liquid supply conduit includes a receiving volume defined at least in part by a meniscus. The second end of the capillary is in fluidic communication with the receiving volume. A liquid exhaust system in fluidic communication with a removal conduit removes liquid from the receiving volume. An analysis system is in fluidic communication with the removal conduit.

Abstract: 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.

Abstract: A compound is separated or introduced from a sample at a plurality of different times. The compound is ionized, producing an ion beam. The compound is selected and mass analyzed or the compound is selected, fragmented, and fragments of the compound are analyzed from the ion beam at the plurality of different times, producing a plurality of mass spectra. An XIC is calculated for the compound using the plurality of mass spectra. A chemical structure of the compound received in notation form is converted to a numerical vector using a processing algorithm operable to convert the notation form to the numerical vector. A plurality of peak shape parameters is calculated for the compound using the numerical vector and a machine trained model. A peak of the XIC is identified as a peak of the compound using the plurality of peak shape parameters and optionally a peak integration algorithm.

Abstract: A method of operating a differential mobility spectrometer (DMS) includes providing a heater disposed proximate a ceramic body of a DMS cell. A first control voltage is applied to the heater. A first threshold is detected by a first sensor disposed within a curtain plate that substantially surrounds the DMS cell. A second control voltage is applied to the heater based at least in part on the detected first threshold. During application of the second control voltage, a mass spectrometry analysis of a gas within the DMS cell is performed.

Abstract: Integrated system for delivering sample to a mass spectrometer, which includes a chamber extending from a top to bottom end, an open port probe disposed in the chamber such that an open end of the probe, which is configured for receiving a sample, is positioned in proximity to top end of the chamber. The system can further include a solvent inlet port coupled to said chamber for receiving a solvent and directing said solvent to said probe, and a solvent outlet port for receiving a flow of the solvent from the open port probe and directing the received solvent out of the chamber. The system can also include an adapter for receiving a sample holder having an outlet port, the adapter is releasable and replaceable and couple with chamber to align the outlet port of sample holder with open end of probe for delivering sample to the probe.

Abstract: Methods and systems for operating an ELIT are provided herein. In accordance with various aspects of the present teachings, and ELIT is provided that can enable simultaneous trapping of two different groups of ions as each group oscillates along a different path length within the ELIT.

Abstract: 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.

Abstract: In one aspect, an ion guide for use in a mass spectrometer is disclosed, which comprises a pair of printed circuit boards (PCBs) having an inlet for receiving a plurality of ions from an upstream ion source and outlet through which the ions exit the ion guide. The ion guide includes at least two ion paths provided in the space between the two PCBs for transmission of ions from the inlet to the outlet. The ion guide can further include at least one ion-routing device that can be coupled to the ions paths for selecting a propagation path of the ions between those ion paths. In some embodiments, the two ion paths can have at least one segment in common.