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 an open port of a sampling probe for receiving a specimen may be exposed to washing solvent to wash the sampling probe while fluid within the sampling probe remains continuously flowing.

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: A method of adjusting a position of an electrode within a nebulizer probe of a mass spectrometry device having an open port interface for receiving a sample includes performing a first analysis of the sample at a first analysis condition including a first position of the electrode and a first flow rate. After performing the first analysis, a second analysis of the sample is performed at a second analysis condition including the first position of the electrode and a second flow rate higher than the first flow rate. Thereafter, a third analysis of the sample is performed at a third analysis condition including a second position of the electrode and the second flow rate.

Abstract: 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.

Abstract: A mass spectrometer that includes an MCP detector selects and analyzes a calibrant compound that has a first isotope and a second isotope with a known abundance ratio. The mass spectrometer measures the intensity of the first isotope that produces multiple-ion strikes at the MCP detector and the intensity of the second isotope that produces single-ion strikes at the MCP detector while the bias voltage of the MCP detector is stepped through a sequence of one or more different voltages. At each step, the ratio of the measured intensities is compared to the known abundance ratio for the two isotopes. When the measured ratio is within a predetermined threshold of the known abundance ratio, an optimum voltage for the MCP detector is calculated using one or more measured ratios calculated for voltages of the sequence of voltages.

Abstract: Methods of detecting at least one analyte in at least one liquid sample are described. The method includes the steps of desalting the liquid sample, acoustically ejecting the desalted sample into an open-port interface, diluting the desalted sample, and transferring the diluted sample to an ionization source, ionizing the diluted sample, and selecting ions of interest by ion mobility.

Abstract: Systems and methods described herein utilize a multipole ion guide that can receive ions from an ion source for transmission to downstream mass analyzers while preventing unwanted/interfering/contaminating ions from being transmitted into the high vacuum changes of mass spectrometry systems. In various aspects, RF and/or DC signals can be provided to auxiliary electrodes interposed within a quadrupole rod set so as to control or manipulate the transmission of ions from the multiple ion guide.

Abstract: A method of adjusting a position of a tip of an electrode relative to an end of a nebulizer nozzle of a mass spectrometry device includes providing a conduit and the electrode connected to the conduit at a first end of the conduit. The electrode tip is disposed at a first position relative to the nebulizer nozzle end. The pressure gauge is connected to a second end of the conduit. A gas ejection is initiated from the nozzle with the electrode tip at the first position. During the gas ejection, the position of the electrode tip is adjusted from the first position towards a second position relative to the nozzle end. Adjusting the position from the first position towards the second position is terminated when the pressure gauge displays a pressure condition. Once adjusting is terminated, the electrode tip is at the second position.

Abstract: A precursor ion transmission window is moved in overlapping steps across a precursor ion mass range. The precursor ions transmitted at each overlapping step by the mass filter are fragmented or transmitted. Intensities or counts are detected for each of the one or more resulting product ions or precursor ions for each overlapping window that form mass spectrum data for each overlapping window. Each unique product ion detected is encoded in real-time during data acquisition. This encoding includes sums of counts or intensities of each unique ion detected the overlapping windows and positions of the windows associated with each sum. The encoding for each unique ion is stored in a memory device rather than the mass spectral data. A deblurring algorithm or numerical method is used to determine a precursor ion of each unique ion from the encoded data.

Abstract: A system and method are provided for controlling the temperature gradient along a differential mobility spectrometer having a differential mobility spectrometer having an inlet and an outlet, wherein the inlet is configured to receive ions transported from an ion source by a transport gas. The differential mobility spectrometer has an internal operating pressure, electrodes, and at least one voltage source for providing DC and RF voltages to the electrodes for separating ions that are transported from the inlet to the outlet. A gas port is provided near the outlet for introducing a throttle gas to control the flow rate of the transport gas through the differential mobility spectrometer and thereby adjust the ion residence time. A heater is provided for controlling the temperature of the throttle gas to minimize the temperature gradient between the inlet and outlet of the differential mobility spectrometer.

Abstract: 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.

Abstract: In one aspect, a system is disclosed, which includes at least one capillary configured for receiving a sample, a first light source for generating a first light, a second light source for generating a second light, an optical element for receiving and directing the first and the second light into the at least one capillary, an absorbance detector, and a shutter positioned between the absorbance detector and the at least one capillary. The shutter is movable between an undeployed position and a deployed position. In the undeployed position, at least a portion of the first light passing through the at least one capillary can be received by the absorbance detector. In the deployed position, the shutter inhibits back reflection of the light exiting the at least one capillary to the at least one capillary.

Abstract: 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.

Abstract: In one aspect, a dual-mode capillary electrophoresis system is disclosed, which comprises a plurality of capillaries for receiving a plurality of samples, a UV radiation source for generating UV radiation along a first path, a laser light source for generating laser radiation along a second path, and a galvanometric mirror configured to receive radiation from said UV radiation source along said first path and to receive light from said laser light source along said second path, and to direct said received UV radiation and said laser light onto a common optical path, said galvanometric mirror further being configured to scan said UV radiation and said laser light sequentially over said plurality of capillaries. The system can further include detectors for detecting the UV radiation as well as fluorescent radiation emitted by the samples in response to laser excitation.

Abstract: Devices and methods are described for assigning charge state to detected ions from a mass analysis instrument. In one of the methods, the charge state may be assigned, for instance, by evaluation a detector response signal including information related to individual ion responses generated by an ion detector for each ion arrival event captured by the detector. The detector response signal may then be evaluated in combination with one or more additional features corresponding to the ion arrival event to assign a charge state for that ion arrival event.

Abstract: Methods and systems for identifying or classifying charge states of detected ions. An example method for classifying a charge state of detected ions may include generating a pulse for each ion in a plurality of ions detected by a detector, wherein each pulse has a pulse characteristic; generating a pulse-characteristic distribution of the generated pulses; and based on the pulse-characteristic distribution, generating an identification of the charge state of one or more ions in the plurality of ions.

Abstract: A method of performing liquid chromatography (LC) with an LC system including an LC column and an analyzer includes delivering a transport liquid to an open port interface (OPI) of a sample receiving circuit, wherein the sample receiving circuit includes a sample transfer chamber. A sample is ejected from a sample holder into the OPI with a non-contact ejector. The transport liquid and the sample are received in the sample transfer chamber. The sample transfer chamber is decoupled from the sample receiving circuit. A solvent is delivered to the analysis circuit. The sample is pushed from the sample transfer chamber with the solvent. The sample and the solvent is passed through the LC column to produce an eluent. The eluent is analyzed with the analyzer.

Abstract: Systems and methods are disclosed for ion injection into an electrostatic trap. As non-limiting examples, various aspects of this disclosure provide a quadrupole comprising first, second, and third quadrupole segments. The second quadrupole segment may be arranged between the first and third quadrupole segments and the first quadrupole segment and the third quadrupole segment may each comprise four poles with auxiliary electrodes arranged between each pair of the four poles. The second quadrupole segment may comprise four poles and the first and third quadrupoles each may comprise four individual auxiliary electrodes, two pairs of auxiliary electrodes, two electrodes, or one pair of auxiliary electrodes. The auxiliary electrodes of the first quadrupole segment and the entrance lens may be biased at a same direct current (DC) voltage. The auxiliary electrodes of the third quadrupole segment and the exit lens may be biased at a same DC voltage.

Abstract: A method of evacuating a liquid sample from an open port interface (OPI) via a pressure drop includes applying the pressure drop to a transport liquid. This application generates a plurality of bubbles in the transport liquid during evacuation of the transport liquid from the OPI via a transfer conduit. The liquid sample is separated from a subsequent liquid sample by at least one of the generated bubbles.

Abstract: Disclosed are methods and systems that can detect, monitor, adjust, and optimize fluid dynamic conditions within a sampling system comprising a transport capillary (e.g., an open port interface). The methods and systems detect an acoustic signal within the sampling system and, based on characteristics of the detected acoustic signal, adjust flow rate conditions of the liquid and/or airflow in the sampling system. Also provided are automated control and feedback systems (e.g., automated feedback adjustments made to an inlet pump flow rate, nebulizer gas flow rate, or both) that adjust, tune, and maintain flow conditions within a transport line based on a detected acoustic signal.