Abstract: Examples are directed toward collecting, by a LC-MS device, a full scan of ion chromatograms of a sample. The LC-MS device determines observed ions contained in the full scan, based on mass-to-charge ratios (m/z), and determines, for a formation curve of an observed ion, a formation point at which fifty percent of the observed ion has formed. The LC-MS device determines a fragmentation curve of a precursor ion, based on a fragmentation point of the fragmentation curve equivalent to the formation point at which fifty percent of the precursor ion has fragmented, and identifies the precursor ion by referencing the LC-MS library to confirm that the observed ion is a product of the fragmentation of the precursor ion. The LC-MS device indicates a goodness of fit between the fragmentation curve, as observed, and a model fragmentation curve, as stored in the LC-MS library.

Abstract: An ICP source (100) for generating ions using an inductively coupled plasma is configured to be coupled to a mass spectrometer (200). The sample is introduced into the plasma along a downwards-pointing vertical direction (G) under the action of gravity. In this manner, the sample can reach the plasma regardless of its condition, e.g., regardless of droplet or particle size. Transport efficiencies of up to 100% can be achieved. The ICP source can be supplied with a continuous stream comprising the sample.

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: An ion guide assembly (2) is disclosed comprising: two planar mounting components (4); and first and second ion guides (6,8) mounted on the two planar mounting components such that the ion guides are spaced apart from each other, wherein at least one of the planar mounting components has an aperture (14) therethrough that is located between the positions on said at least one mounting component at which the first and second ion guides are mounted; and an ion optical device sized and configured to be inserted through the aperture in the planar mounting component and into the space between the first and second ion guides.

Abstract: Methods include directing a group of ions through a separation region of an ion manipulation apparatus, separating the group of ions in the separation region based on ion mobility, selecting a subset of the group of ions based on a dependence between ion mobility and ion arrival time of the separated ions at a deposition switch of the ion manipulation apparatus, and depositing the selected subset of ions on a substrate. Related systems and ion manipulation apparatus are disclosed. Also disclosed are methods and system that provide concurrent ion accumulation and ion separation in coupled and switchable electrode regions using traveling wave electric fields.

Abstract: We describe in this application the analysis of samples using elemental or mass spectrometry and the analysis of samples, such as biological samples by suspension mass cytometry or imaging mass cytometry and an inductively coupled plasma torch with reverse vortex flow for elemental analysis and a method of operating an ICP torch configured to interface with a spectrometer.

Abstract: A method for inspecting a component made of press-hardening steel prior to resistance spot welding of the component includes performing non-destructive testing of the component made of press-hardening steel after hot stamping to determine a plurality of characteristics for the component. The non-destructive testing comprises at least one of image processing, electromagnetic analysis, and elemental analysis of the component. The method includes using a model correlating values of the characteristics to acceptable weld quality or rejected weld quality and predicting acceptable weld quality or rejected weld quality of the component prior to resistance spot welding of the component; resistance spot welding the component if the model predicts acceptable weld quality; and not resistance spot welding the component if the model predicts rejected weld quality.

Abstract: A system for providing information based on a spectral content of an optical signal, comprises: an optical modulator for applying a time-dependent modulation to the optical signal according to at least one sub-optical modulation frequency, to provide a modulated optical signal. The system also comprises an optoelectronic device configured for receiving the modulated optical signal and responsively generate an electrical sensing signal, and a signal processing system configured for processing the electrical sensing signal and to generate output correlative to at least one wavelength of the optical signal based on the modulation.

Abstract: An ion sequestering apparatus and methods or systems using one or more auxiliary electrodes in an ion reaction instrument having RF electrodes adapted to guide positively-charged precursor ins along a first axis, and an electron source for introduction of an electron beam along a second axis transverse to the first axis such that electron activated dissociation of the precursor ions into reaction products can occur, the auxiliary electrode configured to apply a supplemental AC signal to permit selective extraction of reaction products while sequestering precursor ions along the second central axis. For example, the supplemental AC signal can comprises an notched white noise signal with a notch that suppresses frequencies at which the precursor ions (and/or charge reduced species that have the same molecular mass but have a different charge state) would otherwise be excited.

Abstract: Provided are a standard sample film for use in laser ablation inductively coupled plasma mass spectrometry, the standard sample film containing an organic substance and having a small variation in signal intensity of an ion of a metal element depending on a measurement position; a standard sample; a method for producing a standard sample film; a sample set; a quantitative analysis method; and a transfer film. The standard sample film of the present invention is a standard sample film for use in laser ablation inductively coupled plasma mass spectrometry, the standard sample film containing a polymer and a metal element, and having a maximum height difference in film thickness of the standard sample film of 0.50 ?m or less.

Abstract: Systems and methods are provided for obtaining raw mass spectrometry data from samples, determining signals present across the samples, and separating the raw mass spectrometry data into discrete intervals in each of the samples. At each interval of the discrete intervals of the raw mass spectrometry data, a local highest intensity signal, relative to any other signal within each interval, is determined, and a frequency of occurrence of each local highest intensity signal across the samples is determined. A subset of local highest intensity signals is retrieved based on respective frequencies of occurrence of the local highest intensity signals. The subset of the local highest intensity signals is ingested into a machine learning model.

Abstract: A lens assembly for an outer source of a mass spectrometer, the assembly comprising: a housing; a plurality of lens elements, each lens element comprising a radially extending electrically conductive protrusion, the lens elements being linearly arranged in the housing such that the protrusions are aligned with one another, and an interface connector having a plurality of sockets to receive the protrusions therein and create an electrical connection between the protrusions and sockets. A housing for a resistance temperature detector is also disclosed.

Abstract: A method that includes introducing at least one analyte into a gas plasma; generating neutral species from atoms of the analyte in the gas plasma; preferentially transporting the neutral species downstream of the gas plasma relative to any ions produced in the gas plasma; and reacting the neutral species of the analyte with at least one reagent ion downstream of the plasma resulting in ion species of the analyte, wherein the at least one reagent ion is supplied by an independent ion source.

Abstract: Techniques and apparatus for are described. In one embodiment, for example, an apparatus may include at least one memory, and logic coupled to the at least one memory. The logic may be configured to perform an analytical service on a primary analytical device, receive acceptance of the analytical service, and generate an analytical services package for the analytical service, the analytical services package configured to facilitate performance of the analytical service on a client analytical device. Other embodiments are described.

Abstract: A mass spectrometer support apparatus includes a peak shape logic to determine one or more peak shapes using a calibration mass spectrum and known peak locations; and a tuning logic to adjust instrument parameters to achieve a selected peak width. A method for tuning a quadrupole-based mass spectrometer includes determining one or more peak shapes using a calibration mass spectrum and known peak locations; and adjusting instrument parameters to achieve a selected peak width.

Abstract: The present disclosure provides an ion trap apparatus and a saddle point moving method for the ion trap apparatus. The ion trap apparatus comprises: an insulating base material, the insulating base material being a concave structure; and at least two segments of arc-shaped metal reflective electrodes, wherein the arc-shaped metal reflective electrodes cover the front side of the insulating base material, the front side being a concave surface; each segment of the arc-shaped metal reflective electrodes is electrically insulated; and each segment of the arc-shaped metal reflective electrodes is used to receive a radio frequency voltage which has the same frequency, the same phase and an adjustable amplitude. The apparatus may achieve ideal imaging while improving the light collection efficiency, thereby improving the success rate of the preparation of ion-photon entangled states.

Abstract: A machine, article, process of using, process of making, products produced thereby and necessary intermediates. Illustratively, there can be a process that includes: ionizing at least some injected gas to form ions; confining, without using magnetic fields, at least some of said ions to produce confined ions; accumulating at least some of said confined ions to produce accumulated ions; cooling at least some of said accumulated ions to produce cooled ions; compressing, without using magnetic fields, at least some of said accumulated ions to produce compressed ions; accelerating at least some of said compressed ions to produce accelerated ions; ejecting at least some of said accelerated ions; and measuring at least one property of said ejected ions.

Abstract: An analysis method is a method of analyzing a second substance in a sample including the second substance produced by decomposition of a first substance, and includes analyzing a sample and a compound having a known concentration and detecting the first substance, the second substance and the above-mentioned compound, calculating an intensity or a concentration of the first substance obtained from the above-mentioned data based on data obtained by the detection and a relative response factor in regard to the first substance and the above-mentioned compound, and producing information about an amount or a concentration of the second substance excluding the second substance produced from the first substance in the analysis, based on an intensity or a concentration of the first substance.

Abstract: According to one aspect of the present invention, a high-voltage power supply device outputs a high voltage of both positive and negative polarities in a switchable manner and includes: a first voltage generation unit; a second voltage generation unit; a first discharging diode connected to the first voltage generation unit; a second discharging diode connected to a the second voltage generation; a first output circuit connected including a first switch and a protective resistor connected in series to each other; a second output circuit including a second switch and a protective resistor connected in series to each other; an output capacitor connected in parallel to a load; a controller controlling the voltage generation units and opening/closing operations of the switches; limitation units configured to limit a time rate of change of a voltage between ends of the a respective switch.

Abstract: An ion analysis apparatus includes an ionization source that generates a beam of ions and a trapping device that axially transfers the ions downstream. A first quadrupole mass filter receives the ions from the trapping device and transfers at least a first subset of the received ions. A segmented linear quadrupole ion trap performs a first processing step on the at least first subset of ions and transfers the processed ions. A second quadrupole mass filter receives the processed ions transferred from the segmented linear quadrupole ion trap and transfers at least a second subset of the processed ions. A collision cell receives and performs a second processing step on the at least second subset of processed ions. A mass analyzer performs mass analysis of the ions processed by the collision cell.

Abstract: A low power mass spectrometer assembly includes at least an ionization component, an electrostatic analyzer, a lens assembly, a magnet assembly and at least one detector located in a same plane as the entrance to the magnet assembly for detecting the deflected sample ions and/or fragments of sample ions, including ions or ion fragments indicative of the Vitamin D metabolite within the sample.

Abstract: Demand response methodologies for primary frequency response (PFR) for under or over frequency events. Aspects of the present disclosure include methods for controlling a fleet of distributed energy resources equipped for PFR and quantifying in real time an amount of primary frequency control capacity available in the fleet. In some examples, the DERs may be configured to consume and discharge electrical energy in discrete energy packets and be equipped with a frequency response local control law that causes each DER to independently and instantaneously interrupt an energy packet in response to local frequency measurements indicating a grid disturbance event has occurred.

Abstract: A target that is irradiated with a charged particle to emit a neutron, an output circuit such as a DC/DC converter that includes a semiconductor element and that outputs voltage during normal operation, and a counter that measures elapsed time with a point in time when the neutron is emitted from the target defined as a starting point are included. Furthermore, a measurement unit that measures the voltage output from the output circuit, and a calculation unit that calculates time of flight of the neutron based on a time when a measurement voltage value measured by the measurement unit falls below a predetermined threshold value and the elapsed time measured by the counter and that calculates energy of the neutron based on the calculated time of flight are included.

Abstract: A method for analyzing charged particles may include generating, in or into an ion source region, charged particles from a sample of particles, causing the charged particles to enter a mass spectrometer from the ion source region at each of a plurality of differing physical and/or chemical conditions in a range of physical and/or chemical conditions in which the sample particles undergo structural changes, controlling the mass spectrometer to measure at least the charge magnitudes of the generated charged particles at each of the plurality of differing physical and/or chemical conditions, determining, with a processor, an average charge magnitude of the generated charged particles at each of the plurality of differing physical and/or chemical conditions based on the measured charge magnitudes, and determining, with the processor, an average charge magnitude profile over the range of physical and/or chemical conditions based on the determined average charge magnitudes.

Abstract: Real-time search (RTS) for mass spectrometry is described. In one aspect, a mass spectrometer can identify a candidate peptide for a product ion spectrum by searching a mass spectral database. While executing the search of the mass spectral database, the elapsed search time can be monitored. If the elapsed search time of the identification of the candidate peptide is completed before reaching a maximum value, then the mass spectrometer can perform further actions.

Abstract: Disclosed is a gas separation arrangement for separating and containing various types of gas from a collection chamber based on their different atomic masses. The chamber is connected to an ion diverter via a valve that when open permits the various types of gas to migrate from the collection chamber to an ionizer where the gas is ionized. The ionized gas is accelerated through an ion accelerator and dispensed into an ion deflector. The ion deflector comprises a magnetic field within a channel defined by a pair of split-pole magnets. The trajectory of the ions is based on the mass of the ions, which separates the ions. Multiple collectors are positioned at different locations on an exit side of the ion deflector to receive the different ions traveling along their respective trajectories.

Abstract: MS-based methods and systems are provided herein in which a desorption solvent desorbs one or more analyte species from an SPME device within a sampling interface that is fluidly coupled to an ion source for subsequent mass spectrometric analysis. In accordance with various aspects of the applicants teachings, the sampling interface includes an internal sampling conduit that provides increased interaction between the desorption solvent and the sampling substrate, thereby improving mass transfer (e.g., increased extraction or desorption speed).

Abstract: There is provided a method of identifying spurious peaks in a mass spectrum produced from a time-varying transient signal detected in a mass spectrometer. The method comprises the steps of generating, using a regularized inversion algorithm having one or more adjustable parameters, a first mass spectrum from the time-varying transient signal, according to a first set of values of said one or more adjustable parameters. Generating, using the regularized inversion algorithm, one or more perturbed mass spectra from the transient signal, according to one or more respective perturbed versions of the first set of values. Identifying one or more spurious peaks in the first mass spectrum by comparing the first mass spectrum with at least one of the perturbed mass spectra. There are also provided corresponding systems and computer readable media.

Abstract: Disclosed is an emitter device configured to operate as part of an electrospray ionization mass spectrometry device, the emitter device providing droplets of a liquid containing material to be analyzed. Also disclosed are methods of use of the emitter device 1.

Abstract: The invention relates to a system for aligning the firing of a laser-ablation apparatus to a signal or property of an inductively-coupled-plasma mass-spectrometer apparatus. At least one kind of input unit that receives timing data from the mass-spectrometer and isolates the system. A processor configured to translate the mass cycle of the mass-spectrometer into a series of triggering signals to fire the laser. A delay circuit to retard the triggering signals by a specified duration. At least one kind of signal output unit to deliver a triggering signal to the laser. A method for configuring a system for controlling a laser in laser-ablation inductively-coupled-plasma mass-spectrometry as above. A computer program product for controlling a laser in laser-ablation inductively-coupled-plasma mass-spectrometry as above.

Abstract: An ion analyzer 1 includes: an ionization chamber 10; an ionization unit 3 configured to generate ions from a sample 11 in the ionization chamber 10; an analysis chamber 20 separated from the ionization chamber 10 by a partition wall 21 in which an opening 211 is formed; an ion transport unit 22, 23, and 24 provided in the analysis chamber 20 and configured to transport the ions generated in the ionization unit; an ion trapping unit 25 provided in the analysis chamber 20 and configured to trap the ions transported by the ion transport unit 22, 23, and 24; an ion detection unit 26 provided in the analysis chamber 20 and configured to detect the ions released from the ion trapping unit 25; and a single evacuation mechanism 28 connected only to the analysis chamber 20 and configured to evacuate the analysis chamber 20 to a pressure of 10?3 Pa or less.

Abstract: Disclosed herein are mass spectrometry sample substrates. Also disclosed herein are mass spectrometry sample strips and cartridges that include a solid phase extraction (SPE) element. The mass spectrometry sample substrates, sample strips, and cartridges can be used in paper spray mass spectrometry to detect and quantify one or more analytes present in a biological sample. Also disclosed are methods for collecting and concentrating one or more analytes from a biological sample, as well as for storing a biological sample that includes one or more analytes. Methods for analyzing the one or more analytes from the biological sample are also provided.

Abstract: In order to improve the ionization efficiency and ion collection efficiency in an ESI ion source to achieve a higher level of analysis sensitivity while improving the throughput of the analysis, one mode of the present invention provides an ion analyzer equipped with an ion source employing an electrospray ionization method, where the ion source (2) includes: a plurality of capillaries (211-218) configured to spray a supplied liquid sample in the same direction; one or more auxiliary electrodes (23, 231-328) arranged so as to be surrounded by the plurality of capillaries; and a voltage supplier (24) configured to apply, to the plurality of capillaries, a DC high voltage for which the potential of the one or more auxiliary electrodes is used as a reference.

Abstract: The present disclosure relates to sensor systems and methods for analysing fluid samples. The sensor system comprises a housing (220) having an inlet for a fluid sample to enter the housing, an outlet for the fluid sample to exit the housing, and a fluid sample path within the housing for the fluid sample to flow between the inlet and the outlet. The sensor system also comprises an ionizer (210) which is external to the housing and which is for ionizing the fluid sample at a first location on the fluid sample path to generate sample ions, an ion mobility filter (212) which is at least partially located within the housing and which is for filtering the generated sample ions at a second location on the fluid sample path, and a detector (214) which is external to the housing and which is for detecting the sample ions which pass through the ion mobility filter at a third location on the fluid sample path.

Abstract: Provided is a mass spectrometer including: an ion generation unit configured to provide an ion generation path; an ion selection unit configured to provide an ion selection path connected to the ion generation path; a reaction unit configured to provide a reaction path connected to the ion selection path; a second ion selection unit configured to provide a second ion selection path connected to the reaction path; and an ion detection unit coupled to the second ion selection unit. The ion selection path and the reaction path extend in a first direction, and the reaction unit includes: a reaction pipe extending in the first direction to define the reaction path; and a sample inflow pipe coupled to the reaction pipe. The sample inflow pipe provides a sample inflow path connected to the reaction path, and the sample inflow path includes an inclined path. The inclined path extends to form an acute angle (?) with respect to the first direction.

Abstract: Peak determination is executed with respect to the mass spectrum of a sample to generate a peak list. For each of the plurality of peaks contained in the peak list, a Kendrick mass (KM) of a designated monomer is calculated. An RKM is calculated, the RKM being a fractional part of a value obtained by dividing the KM by the integer mass of the monomer, or a remainder of dividing a nominal Kendrick mass (NKM) by the integer mass of the monomer. A plurality of peaks contained in the peak list and satisfying a grouping condition, including the permissible range of the RKM of the starting point peak, are grouped.

Abstract: The disclosure describes aspects of using multiple species in trapped-ion nodes for quantum networking. In an aspect, a quantum networking node is described that includes multiple memory qubits, each memory qubit being based on a 171Yb+ atomic ion, and one or more communication qubits, each communication qubit being based on a 138Ba+ atomic ion. The memory and communication qubits are part of a lattice in an atomic ion trap. In another aspect, a quantum computing system having a modular optical architecture is described that includes multiple quantum networking nodes, each quantum networking node including multiple memory qubits (e.g., based on a 171Yb+ atomic ion) and one or more communication qubits (e.g., based on a 138Ba+ atomic ion). The memory and communication qubits are part of a lattice in an atomic ion trap. The system further includes a photonic entangler coupled to each of the multiple quantum networking nodes.

Abstract: Technical solutions for classifying patients with respect to multiple cancer classes are provided. The classification can be done using cell-free whole genome sequencing information from subjects. A reference set of subjects is used to train classifiers to recognize genomic markers that distinguish such cancer classes. The classifier training includes dividing the reference genome into a set of non-overlapping bins, applying a dimensionality reduction method to obtain a feature set, and using the feature set to train classifiers. For subjects with unknown cancer class, the trained classifiers provide probabilities or likelihoods that the subject has a respective cancer class for each cancer in a set of cancer classes. The present disclosure thus describes methods to improve the screening and detection of cancer class from among several cancer classes. This serves to facilitate early and appropriate treatment for subjects afflicted with cancer.

Abstract: The present invention relates to a method for identifying and/or authenticating a sample, comprising adding at least one chemical compound to the sample, determining a level of the at least one compound after addition to the sample; comparing the level of the at least one compound to a reference level and identifying the sample based on the comparison with the reference sample and the effect of the sample on the level of the at least one compound. The invention further relates to the use of the at least one compound in the method for identifying and/or authenticating a sample. Further, the invention relates to the use of a kit comprising the at least one compound in the inventive method. In addition, the invention relates to a composition comprising the at least one compound. Further, the invention relates to a kit comprising the compositions provided herein, e.g. for calibrating the methods provided herein and/or the instruments employed in the methods provided herein.

Abstract: A charge detection mass spectrometer (CDMS) includes an electrostatic linear ion trap (ELIT), a processor, and a memory having instructions stored therein executable by the processor to (a) control the ELIT to trap an ion, (b) collect ion measurement information as the trapped ion oscillates back and forth through the ELIT, the ion measurement information including charge induced by the ion on a charge detector of the ELIT during each pass of the ion through the ELIT and timing of the induced charges relative to one another, (c) process the ion measurement information in the time-domain for each of a plurality of sequential time windows of the ion measurement information to determine a charge magnitude of the ion during each time window, and (d) determine the magnitude of charge of the trapped ion based on the charge magnitudes of each of the time windows.

Abstract: A semiconductor manufacturing apparatus according to the present embodiment includes a stage on which a wafer can be placed. A separator separates a beam of impurities to be introduced into the wafer into an ion component and a neutral component. A controller switches the semiconductor manufacturing apparatus between a first mode and a second mode, where in the first mode, the ion component is introduced into the wafer and in the second mode, the neutral component is introduced into the wafer.

Abstract: Disclosed is a method of desorbing an adsorbed material by subjecting to energy a diazirine adsorbed on a solid surface or a layer on the solid surface, which causes the diazirine to form a carbene and nitrogen gas; and using the energy of the resultant nitrogen gas to desorb the adsorbed material from the solid surface or a layer on the same. Also disclosed is a method of reacting the resultant carbene with (a) a material in the gas phase proximal to the first solid surface; (b) a material adsorbed on a second solid surface proximal to the first solid surface; or (c) a second solid surface proximal to the first solid surface.

Abstract: A method of mass filtering ions is disclosed comprising: providing a first, AC-only, mass filter (2); providing a second mass filter (4) downstream of the first mass filter; applying a first AC voltage (8) to electrodes of the first mass filter so as to radially confine ions between the electrodes, and applying a second AC voltage (10) between electrodes of the first mass filter (2) so as to radially excite some of said ions such that these ions are not transmitted; and using the second mass filter (4) to mass filter ions; wherein at any given time the second mass filter (4) only transmits ions having a first range of mass to charge ratios and filters out all other ions; and wherein the step of applying the at least one second AC voltage (10) to electrodes of the first mass filter (2) radially excites ions such that at least some ions having mass to charge ratios above said first range are not transmitted into the second mass filter.

Abstract: A system for separation of components of a natural gas product uses a first separation column to receive the natural gas product and to provide first stage components including a first component gas, uses a gas converter to provide second stage components that includes third component gas from at least a second component gas of such first stage components, and uses a second separation column to provide third stage components that includes the first component gas, the third component gas, and one or more additional carbon-based components provided in or over a period of time associated with the separation of the components of the natural gas product.

Abstract: Devices and methods for surface-induced association are disclosed herein. According to one embodiment, a device for surface-induced dissociation (SID) includes a collision surface and a deflector configured to guide precursor ions from a pre-SID region to the collision surface. In some embodiments, an extractor extracts ions off the collision surface after collision with the collision surface. In some embodiments, an RF device can collect and/or transmit the extracted ions. In some embodiments, an ion funnel guides product ions resulting from collision with the collision surface to a post-SID region. Some aspects of the disclosure are directed to methods for surface-induced dissociation, which may in some embodiments include using of a split lens or an ion funnel.

Abstract: Provided is a scattering measurement analysis method including obtaining a theoretical scattering intensity from a structural model that contains a lot of scatterers, wherein the obtaining of a theoretical scattering intensity includes obtaining a contribution to the theoretical scattering intensity of a pair of a scatterer “m” and a scatterer “n” existing at a distance “r” from the scatterer “m” among a plurality of scatterers by at least one of calculations in accordance with the distance “r”, the calculations including a first calculation of calculating contributions of the scatterer “m” and the scatterer “n” from respective scattering factors fm(q) and fn*(q) and a center-to-center distance rmn between the scatterer “m” and the scatterer “n”, and a second calculation of substituting the scattering factor fn*(q) of the scatterer “n” by a first representative value and substituting a probability density function of the number of scatterers existing at the distance “r” by a constant value.

Abstract: A method of performing mass spectrometry includes obtaining, based on a series of mass spectra of detected ions derived from components eluting from a chromatography column, a plurality of extracted ion chromatograms (XICs), each XIC comprising a plurality of detection points representing detected intensity for a distinct selected m/z as a function of time; detecting, based on the series of mass spectra, precursor ions of each distinct selected m/z of the plurality of XICs; and determining, for each XIC based on a set of detection points of the XIC, a predicted next detection point to be obtained based on a next mass spectrum to be acquired.

Abstract: The present invention provides rapid, sensitive high-throughput methods and systems for characterizing peptides or proteins using hydrophobic interaction chromatography-coupled native mass spectrometry to improve manufacturing process of biopharmaceutical products, such as identifying impurities during antibody purification, monitoring post-translational modification variants during production, or characterizing drug-to-antibody ratio of antibody-drug conjugates. The separation profiles of the peptides or proteins are generated and compared to identify or qualify the peptides or proteins.

Abstract: Exemplary embodiments provide methods, mediums, and systems for analyzing spectrometry and/or chromatography data, and in particular to techniques to improve the reproducibility of results of spectrographic and/or chromatographic experiments. For example, some embodiments provide techniques for normalizing mass spectrometry (MS) and/or liquid chromatography (LC) data across different experimental devices, allowing data from different cohorts to be directly compared. To this end, exemplary embodiments provide a reliable, reproducible target library usable across different platforms, laboratories, and users. One embodiment leverages statistical techniques to select experimental parameters configured to reduce or minimize the chance of misidentifying a target molecule. Another embodiment leverages the law of large numbers to produce a composite product ion spectrum usable across different experiments.

Abstract: A method of mass spectrometry is disclosed comprising performing a plurality of experimental runs, wherein each experimental run comprises: periodically mass analysing fragment or product ions at a plurality of time intervals, wherein a delay time is provided between the start of the experimental run and the first time interval at which the fragment or product ions are mass analysed. Different delay times are provided in different ones of the experimental runs and fragment or product ions that have been analysed in the same time interval in at least one of said experimental runs and that have been analysed in different time intervals in at least one other of said experimental runs are identified as fragment or product ions of interest. These fragment or product ions are thus determined to relate to different precursor ions and are used to identify their respective precursor ions.