Abstract: A method for assigning charge state in mass spectrometry includes receiving a detector response signal corresponding to a plurality of ion arrival events. The detector response signal includes information related to individual ion responses generated by a detector for each ion arrival event. Detector response profiles are generated for mass-to-charge (m/z) bins of a mass spectrum generated from the ion arrival events based on the detector response signal. The m/z bins are grouped into a plurality of groups based on a similarity of the detector response profiles of the m/z bins. A charge state is assigned to one or more features based on the groups of m/z bins.

Abstract: A method of ejecting a sample from a nebulizer nozzle fluidically coupled to a port via a transfer conduit includes receiving at the port a transport liquid and the sample. The transport liquid and the sample in the transfer conduit is transported from the port to a transfer conduit exit comprising an electrode tip. The transport liquid is ejected from the transfer conduit exit. The sample is ejected from the transfer conduit exit substantially simultaneously with ejecting the transport liquid. During ejection of the transport liquid and the sample from the transfer conduit exit, a pressure is generated at the transfer conduit exit substantially similar to a vapor pressure of the transport liquid.

Abstract: In one aspect, an ion source for use in a mass spectrometry system is disclosed, which comprises a housing, a first and a second ion probe coupled to said housing, and a first and a second emitter configured for coupling, respectively, to said first and second ion probes. The first ion probe is configured for receiving a sample at a flow rate in nanoflow regime and the second ion probe is configured for receiving a sample at a flow rate above the nanoflow regime. Each of the ion probes includes a discharge end (herein also referred to as the discharge tip) for ionizing at least one constituent of the received sample. In some embodiment, each ion probe receives the sample from a liquid chromatography (LC) column. Further, the ion probes can be interchangeably disposed within the housing.

Abstract: Systems and methods for performing mass analysis. An example method may include ejecting, from a first well of a well plate, a first sample into a transport fluid; ionizing the first sample and the transport fluid to generate first ions; detecting the first ions over a first period of time; and when a count rate of the detected first ions is above a background count rate threshold, accumulating a count of the detected first ions. The method may also include ejecting, from a second well of the well plate, a second sample into the transport fluid; ionizing the second sample and the transport fluid to generate second ions; detecting the second ions over a second period of time; and when a count rate of the detected second ions is above the background count rate threshold, accumulating a count of the detected second ions.

Abstract: 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.

Abstract: A mass spectrometer power system is disclosed that includes a vacuum flange configured to be fitted to an opening of a vacuum housing, defining a vacuum chamber, to seal the vacuum chamber from an exterior environment. The vacuum flange includes an exterior surface facing the exterior environment, an interior surface facing the vacuum chamber, and at least one port configured to provide a passageway for at least one electrical conductor. The power system further includes a high voltage power supply (HVPS) circuitry mounted to the vacuum flange on the exterior surface of the vacuum flange and electrically coupled to an end of said at least one electrical conductor extending from the at least one port, and an encapsulant, constructed from a curable insulating encapsulant material, surrounding a segment of said at least one electrical conductor external to said vacuum chamber and at least a part of the HVPS circuitry.

Abstract: Methods and systems for delivering a liquid sample to an ion source for the generation of ions and subsequent analysis by mass spectrometry are provided herein. In accordance with various aspects of the present teachings, MS-based systems and methods are provided in which a specimen may be received within an open port of a sampling probe and continuously delivered via a jet pump assembly to an ion source for subsequent mass spectrometric analysis.

Abstract: A method of operating a system including a differential mobility spectrometer (DMS) and a mass spectrometer. A sample is introduced to the DMS. The sample is analyzed with the DMS. Data is generated based at least in part on an analyte ion generated from the sample and at least one transport gas composition. Library data of the analyte ion is accessed from a library. The generated data is compared to the library data. A signal is sent when the generated data deviates from the library data by more than a predetermined threshold.

Abstract: A gas introduction system for a differential mobility spectrometer (DMS) includes a manifold including a gas inlet and a gas outlet. A mixing channel fluidically couples the gas inlet to the gas outlet. A plurality of modifier liquid supply inlets is coupled to the mixing channel and a plurality of selectively operable valves. One of the plurality of selectively operable valves is coupled to one of the plurality of modifier liquid supply inlets. A control system is in communication with each of the plurality of the selectively operable valves. The control system is configured to actuate each of the plurality of selectively operable valves.

Abstract: Improvements in acoustically dispensed samples that are injected into an open port probe (OPP) are described. Apparatus and method are described that calibrate the volume dispensing determination and mechanisms in the acoustic dispenser to produce accurate and precise volumetric delivery.

Abstract: 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.

Abstract: 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.

Abstract: The presently claimed and described technology provides a sample processing system comprising at least one sample introduction device, wherein the at least one sample introduction device is configured to receive a sample; a mass analyzer coupled to the sample introduction device; a control system configured to at least control the at least one sample introduction device and/or the mass analyzer, wherein the mass analyzer is configured to perform a first mass analysis on the sample, wherein the first mass analysis is mass screening for an analyte of interest in the sample, and wherein if the analyte of interest is detected in the sample, the mass analyzer is configured to perform a second mass analysis, wherein the second mass analysis is a quantitative analysis, comprising: ionizing the sample; monitoring, by mass spectrometry, at least one product ion transition for the at least one analyte and at least one isotopic ion transition for the at least one analyte; determining intensity and/or abundance of the at

Abstract: Systems and methods are disclosed for analyzing a sample using overlapping precursor isolation windows. A mass analyzer of a tandem mass spectrometer is instructed to select and fragment at least two overlapping precursor isolation windows across a precursor ion mass range of a sample using a processor. The tandem mass spectrometer includes a mass analyzer that allows overlapping precursor isolation windows across the mass range of the sample.

Abstract: An uncertainty weighted average of the equalized amounts of two or more quantifier ions is calculated from a quantitation experiment itself. n known i ions of a compound are mass analyzed over time in each of m different samples, producing n XIC peaks for each of the m samples. A reference ion j is selected that is a j ion of the n i ions or a hypothetical ion j. A ratio r(j,i) of a peak area of the j ion to a peak area of each ion of the n i ions is calculated for each of the m samples, producing m r(j,i) ratios for each of the n i ions. An expected ratio rq(j,i) is calculated for each ion of the n i ions from the m r(j,i) ratios for each of the n i ions. For each sample, the uncertainty weighted average is calculated using rq(j,i).

Abstract: 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.

Abstract: 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.

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.