Abstract: A method of mass spectrometry is disclosed comprising obtaining first data at a first time and/or location and second data at a second subsequent time and/or location. A future trend or rate of change in the data is predicted from the first and second data. An attenuation factor of an attenuation device is adjusted in response to the predicted future trend or rate of change in the data so as to maintain operation of a detector or detector system within the dynamic range of the detector or detector system and/or to prevent saturation of the detector or detector system.

Abstract: The invention provides signal processing method and system and an electronic apparatus for analysis of time-of-flight mass spectra. The method includes digitalizing an analog signal output from an ion detector to acquire complete raw time-of-flight spectra or each effective part in the raw time-of-flight spectra for a plurality of times; if the complete raw time-of-flight spectra are acquired, extracting the effective parts of each raw time-of-flight spectrum; applying a one-dimensional wavelet transform to each effective part to map to each frequency band or scale; determining positions and intensities of each spectral peak in each raw time-of-flight spectrum by detecting the maxima of an obtained wavelet coefficient distribution, and saving said peak position and intensity as characteristic data of each spectral peak; accumulating the characteristic data obtained by processing each raw time-of-flight spectrum and stacking the data to form spectral peak intensity/time-of-flight histogram.

Abstract: A metabolized product ion spectrum is produced for a metabolized version of a known compound using tandem mass spectrometry. Metabolized structures are inferred from the metabolized product ion spectrum. An unmetabolized product ion spectrum is received for an unmetabolized version of the known compound and unmetabolized structures are inferred from the unmetabolized product ion spectrum. Each of the metabolized structures is compared to the unmetabolized structures, producing matched and unmatched structures. For each unmatched structure, a biotransformation repository is searched for modifications and each unmatched structure and the modifications found are again compared to the unmetabolized structures, producing modified matched structures. For each atomic index of the known compound, an unmodified specificity is calculated from the matched structures, a modified intensity specificity is calculated from the modified matched structures, and a score is calculated from the specificities.

Abstract: Systems and methods are used to analyze a sample using variable mass selection window widths. A tandem mass spectrometer is instructed to perform at least two fragmentation scans of a sample with different mass selection window widths using a processor. The tandem mass spectrometer includes a mass analyzer that allows variable mass selection window widths. The selection of the different mass selection window widths can be based on one or more properties of sample compounds. The properties may include a sample compound molecular weight distribution that is calculated from a molecular weight distribution of expected compounds or is determined from a list of molecular weights for one or more known compounds. The tandem mass spectrometer can also be instructed to perform an analysis of the sample before instructing the tandem mass spectrometer to perform the at least two fragmentation scans of the sample.

Abstract: Methods and reagents are disclosed for improved detection of inorganic oxidizers, such as but not limited to chlorates, perchlorates, permanganates, dichromates, and osmium tetraoxides. In one aspect of the invention, latent acid-generating reagents are employed that are chemically stable at room temperature but undergo an acidic transformation when exposed to an elevated temperature or radiation. The latent reagent can be activated by heat or radiation (e.g., UV radiation). The resulting acidic reagent can then transfer a proton to the anion (i.e., chlorate, perchlorate, etc.) of the target analyte, forming an acid (i.e., chloric acid, perchloric acid) that is more easily vaporized and, hence, more easily detected. In another aspect of the invention, heat-sensitive inorganic salts and/or photosensitive onium salts are disclosed as reagents to carry out this method.

Abstract: Systems, computer-implemented methods, and computer program products to facilitate external port measurement of qubit port responses are provided. According to an embodiment, a system can comprise a memory that stores computer executable components and a processor that executes the computer executable components stored in the memory. The computer executable components can comprise an analysis component that can analyze responses of a multi-mode readout device coupled to a qubit. The computer executable components can further comprise an assignment component that can assign a readout state of the qubit based on the responses. In some embodiments, the multi-mode readout device can be electrically coupled to at least one of the qubit or an environment of the qubit based on a defined electrical coupling value.

Abstract: There is provided a mass spectrometry data processor allowing for easy selection of a compositional formula for a sample component to be analyzed (analyte) even in general mass spectrometry applications. The mass spectrometry data processor is used to perform a qualitative analysis of the sample component based both on a first mass spectrum obtained by ionizing the sample component by a soft ionization method and on a second mass spectrum generated by cleavage of the sample component.

Abstract: An ionizing system includes a channel and a heater coupled to the channel. The channel has an inlet disposed in a first pressure region having a first pressure and an outlet disposed in a second pressure region having a second pressure. The first pressure is greater than the second pressure. The heater is for heating the channel, and the channel is configured to generate charged particles of a sample in response to the sample being introduced into the channel.

Abstract: A GC/MS measurement under an ionization by an electron ionization method is performed for a target sample (S1). Peaks are detected on a chromatogram based on obtained data, and a mass spectrum corresponding to each peak is compared with a compound database to identify a compound (S2-S4). A compound identified with a low degree of similarity is extracted as the measurement compound. For this compound, a measurement window including the retention time of a peak corresponding to the compound is set, and a control program for performing an ionization by a chemical ionization method only within the measurement window is created (S5-S8).

Abstract: Method for producing ions for mass spectrometry analysis, including introducing vaporized sample compounds behind a supersonic nozzle and expanding the sample compounds with a carrier gas from the supersonic nozzle into a supersonic nozzle vacuum chamber proximate thereto for vibrationally cooling the sample compounds prior to their ionization. Sample compounds are ionized by either illumination with vacuum ultra-violet photons produced by a continuously operated vacuum ultra-violet photon source or by electrons produced in a fly-through electron ionization ion source; and the ions are transferred to a mass analyzer mounted in a mass analyzer vacuum chamber to obtain mass spectra from vibrationally cold molecules. A quadrupole mass analyzer mounted may be used to obtain mass spectra with dominant molecular ions and fragment ion intensities below 3% of the molecular ion for hydrocarbons. Carrier gas flow rate may exceed 20 ml/min for vibrationally cooling the sample compounds prior to their ionization.

Abstract: A discrete spectrum (DS) signal transmitter includes a first circuit element comprising a DS signal generator that generates a plurality of DS signals, each DS signal having a different DS frequency, each DS frequency being (a) a harmonic of a fundamental frequency or (b) the fundamental frequency. A second circuit element receives as an input the DS signals and that generates as an output (a) a finite summation of the DS signals or (b) pulses that represent a mathematical equivalent of a summation of an infinite number of the DS signals. An antenna is electrically coupled to an output of the second circuit element. The analog DS signals transmitted by the DS signal transmitter are received by a DS signal receiver that converts the analog DS signals to DS discrete signals and performs a fast Fourier transform of the DS discrete signals.

Abstract: Neutral particles are blocked by a deflector provided upstream of a detector. A controller changes a reference potential V2 of the deflector in connection with a change of a reference potential V1 of a collision cell such that a potential difference ?V between the reference potential V1 and the reference potential V2 is constant. The change of the reference potential V2 is executed during a period in which an ion pulse does not pass the deflector.

Abstract: A mass spectrometer for analyzing fragment ions includes an ion source, an ion mobility spectrometer, and a system of electrodes. The ion source is configured to produce fragment ions. The ion mobility spectrometer is configured to receive fragment ions produced by the ion source and to separate at least a fraction of the received fragment ions according to their ion mobility into mobility-separated fragment ions. The system of electrodes is configured to receive DC electrical potentials to transfer at least a fraction of the mobility-separated fragment ions to a mass analyzer for generating a mass-to-charge (m/z) spectrum exhibiting reduced spectral complexity.

Abstract: Spectroscopic chemical analysis methods and apparatus are disclosed which employ deep ultraviolet (e.g. in the 200 nm to 300 nm spectral range) electron beam pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor light emitting devices, and hollow cathode metal ion lasers to perform non-contact, non-invasive detection of unknown chemical analytes. These deep ultraviolet sources enable dramatic size, weight and power consumption reductions of chemical analysis instruments. In some embodiments, Raman spectroscopic detection methods and apparatus use ultra-narrow-band angle tuning filters, acousto-optic tuning filters, and temperature tuned filters to enable ultra-miniature analyzers for chemical identification. In some embodiments Raman analysis is conducted along with photoluminescence spectroscopy (i.e. fluorescence and/or phosphorescence spectroscopy) to provide high levels of sensitivity and specificity in the same instrument.

Abstract: A miniature mass spectrometer is disclosed comprising an atmospheric pressure ionization source and a first vacuum chamber having an atmospheric pressure sampling orifice or capillary, a second vacuum chamber located downstream of the first vacuum chamber and a third vacuum chamber located downstream of the second vacuum chamber. An ion detector is located in the third vacuum chamber. A first RF ion guide is located within the first vacuum chamber and a second RF ion guide is located within the second vacuum chamber. The ion path length from the atmospheric pressure sampling orifice or capillary to an ion detecting surface of the ion detector is ?400 mm. The mass spectrometer further comprises a tandem quadrupole mass analyzer, a 3D ion trap mass analyzer, a 2D or linear ion trap mass analyzer, a Time of Flight mass analyzer, a quadrupole-Time of Flight mass analyzer or an electrostatic mass analyzer arranged in the third vacuum chamber.

Abstract: A binder for an electrochemical element, comprising: a polymer having a carboxyl group and/or a salt thereof, a polymer having an amide group and/or an amide bond; or a polymer having a carboxyl group and/or a salt thereof and an amide group and/or an amide bond.

Abstract: A system comprises an electrostatic trapping mass analyzer and an information processor configured to receive a transient signal from the electrostatic trapping mass analyzer at a maximum resolution, the information processor comprising instructions operable to: partition the transient signal into segments and, while a quality metric is either less than a pre-determined minimum threshold or greater than a pre-determined maximum threshold value, to perform the steps of: (i) defining a test transient as being equal to either a first one of the segments or a previously defined transient with an appended signal segment; (ii) generating a spectrum of component frequencies by calculating a mathematical transform of the test transient; and (iii) determining the quality metric from the spectrum of component frequencies; and set an instrumental resolution to be employed for subsequent mass spectral data acquisitions in accordance with a length of the most-recently-defined test transient.

Abstract: A chromatograph device capable of correct measurement even if the retention times of target components change. This chromatograph device is provided with: a storage unit for storing measurement parameters for a plurality of target components, measurement conditions including measurement parameter switching times for each of two target components eluted in succession, and formulas for determining the switching times from predetermined retention times for the target components; a measurement data accumulation unit; a preceding-measurement-data determination unit for determining, at the time of sample measurement, whether there is preceding measurement data for the same column type, mobile phase type, and flow velocity; and a measurement execution unit for carrying out measurement on the basis of the measurement conditions if there is no preceding measurement data.

Abstract: The invention provides a mass spectrometer, an ion optical device, and a method for ion manipulation in a mass spectrometer. The mass spectrometer includes a mass analyzer; and an ion guiding device, including two electrode arrays positioned in parallel with each other, each electrode array including at least two ring electrodes concentrically disposed or at least three linear electrode assemblies having a radial distribution; and a power supply means, configured to apply a voltage on at least a part of the ring electrodes, to form a radio-frequency electric field and a DC electric field. By means of the radio-frequency electric field and the DC electric field, ions are allowed to be stored in a region between the two arrays, and controlled to be sequentially released along a radial direction according to a preset mass-to-charge ratio requirement, then exit the ion guiding device and enter the mass analyzer for mass analysis.

Abstract: An ion carousel includes a first surface and a second surface adjacent to the first surface. The first and the second surfaces define an ion confinement volume. The second surface including a first inner array of electrodes arranged along a first path and configured to receive, at a first location on the first path, a first ion packet. The first inner array of electrodes are configured to generate a plurality of potential wells that include a first potential well and a second potential well. The first ion packet includes a first sub-packet of ions having a first mobility and a second sub-packet of ions having a second mobility, and the second ion packet includes a third sub-packet of ions having the first mobility and a fourth sub-packet of ions having the second mobility.

Abstract: For a sample containing a target component, a product-ion scan measurement in which the m/z value of a known ion originating from the compound is designated as a precursor ion is performed in a measurement unit (1) to acquire profile spectrum data. A peak detector (22) in a data processing unit (2A) detects peaks on the profile spectrum. For each detected peak, a product-ion m/z-value acquirer (23) acquires an m/z value corresponding to the maximum intensity as the m/z value of a product ion. A pseudo MRM measurement data extractor (24) adopts the m/z value of the precursor ion and that of the product ion as an MRM transition, extracts the maximum intensity of the peak originating from the product ion as the signal intensity value on that MRM transition, and stores these data as pseudo MRM measurement data in a memory section (25).

Abstract: The invention relates to a method for operating an ion gate having a first, a second, and a third electrode which are arranged one after the other in an intended drifting direction of ions to be influenced by the ion gate, in such a way that the second electrode is arranged after the first electrode and the third electrode is arranged after the second electrode in the drift direction. The ion gate can be switched between a closed state, in which ions cannot drift through the ion gate in the intended drifting direction, and an open state, in which ions can drift through the ion gate in the intended drifting direction. This is accomplished by applying potentials that alternate over time to one or more of the electrodes. In a switching cycle of the ion gate, which comprises the open state and the closed state of the ion gate, two different closed states of the ion gate are produced. In a first closed state, the ion gate is closed by applying a first potential between the second and third electrodes.

Abstract: An MS2 analysis for one precursor ion is performed to collect data on each micro area within a measurement target area (S1). A plurality of product ions are extracted based on those data (S2), and a mass spectrometric (MS) imaging graphic is created for each m/z of the product ion (S3). Hierarchical cluster analysis is performed on the created MS imaging graphics to group the product ions based on the similarity of the graphics (S4). Product ions having similar distributions are sorted into the same group. Such a group of ions can be considered to have originated from the same compound. Accordingly, the intensity information of a plurality of product ions is totaled in each group and for each micro area (S5), and an MS imaging graphic is created based on the totaled intensity information (S6). Even if there are a plurality of compounds overlapping the precursor ion, the influence of the overlapping can be eliminated through those steps.

Abstract: An intermittent sample inlet device and methods for use of the intermittent sample inlet device are described that include an orifice plate with an entrance orifice and a rotating skimmer with a skimmer orifice, where the rotating skimmer is disposed between the orifice plate and a vacuum chamber wall. The rotating skimmer rotates so that the skimmer orifice intermittently aligns with the entrance orifice and allows an ion sample to pass through to a mass analyzer.

Abstract: The invention generally relates to ion generation using modified wetted porous materials. In certain aspects, the invention generally relates to systems and methods for ion generation using a wetted porous substrate that substantially prevents diffusion of sample into the substrate. In other aspects, the invention generally relate to ion generation using a wetted porous material and a drying agent. In other aspects, the invention generally relates to ion generation using a modified wetted porous substrate in which at least a portion of the porous substrate includes a material that modifies an interaction between a sample and the substrate.

Abstract: A method of mass spectrometry is disclosed comprising: performing a plurality of cycles of operation during a single experimental run, wherein each cycle comprises: mass selectively transmitting precursor ions of a single mass, or range of masses, through or out of a mass separator or mass filter at any given time, wherein the mass separator or mass filter is operated such that the single mass or range of masses transmitted therefrom is varied with time; operating the mass separator or filter in a wideband mode between at least some of said plurality of cycles, wherein in each wideband mode the mass separator or filter transmits ions in a non-mass resolving manner; and mass analysing ions.

Abstract: The invention generally relates to systems and methods for separating ions at about or above atmospheric pressure. In certain embodiments, the invention provides systems that include an ionization source that generates ions and an ion trap. The ion trap is maintained at about or above atmospheric pressure and includes a plurality of electrodes and at least one inlet configured to receive a gas flow and at least one outlet. The system is configured such that a combination of a gas flow and one or more electric fields produced by the electrodes separates the ions based on mass-to-charge ratio and sends the separated ions through the at least one outlet of the ion trap.

Abstract: A system, method and computer program product are provided for calculating one or more indicative properties including one or more of the cetane number, octane number, pour point, cloud point and aniline point of oil fractions, from the density and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) of a sample of an oil sample.

Abstract: A mass spectrometer is disclosed comprising an ion mobility separation device for separating ions according to their ion mobility, a first quadrupole mass filter downstream of the ion mobility separation device, a control system arranged and adapted to scan and/or step the set mass of the first quadrupole mass filter a plurality of times over a first mass to charge ratio range of <±2 amu during the elution time of an ion mobility peak from the ion mobility separation device, and an analyser or ion detector downstream of the first quadrupole mass filter arranged and adapted to analyse or detect ions so as to acquire multi-dimensional ion mobility-mass to charge ratio data.

Abstract: An ion transfer device that transfers ions from at least one ion inlet to at least one ion outlet. The ion transfer device includes an enclosure configured to maintain reduced pressure, and a plurality of electrodes disposed at least in part inside the enclosure such that the ion transfer device is configured to be flexible or re-configurable.

Abstract: A method of analysing a sample mass spectrum comprises comparing a sample mass spectrum of a sample with each reference mass spectrum of plural reference mass spectra. A similarity index is assigned to each reference mass spectrum of the plural reference mass spectra based on similarity between the sample mass spectrum and the reference mass spectrum. For each group of one or more groups of the plural reference mass spectra, the similarity indexes for the reference mass spectra belonging to the group are combined so as to provide a group index for the group at a first level of a hierarchy of sample characteristics. The reference mass spectra belonging to each group are mass spectra of reference samples that have a particular characteristic in common. The method provides a way to categorise a sample as belonging to a particular group of reference samples.

Abstract: Methods are provided for detecting the amount of one or more CAH panel analytes (i.e., pregnenolone, 17-OH pregnenolone, progesterone, 17-OH progesterone, dehydroepiandrosterone (DHEA), androstenedione, testosterone, deoxycorticosterone, 11-deoxycortisol, and cortisol) in a sample by mass spectrometry. The methods generally involve ionizing one or more CAH panel analytes in a sample and quantifying the generated ions to determine the amount of one or more CAH panel analytes in the sample. In methods where amounts of multiple CAH panel analytes are detected, the amounts of multiple analytes are detected in the same sample injection.

Abstract: A method of mass spectrometry is disclosed comprising selecting a modification of interest that may modify the mass to charge ratios of precursor ions of interest when said precursor ions are subjected to a fragmentation or reaction condition for producing product ions. The method then filters the product ions (or product ion data) such that only a subset of the product ions are transmitted and detected (or a subset of the data remains) and so as to exclude product ions (or product ion data) that could not have possibly resulted from the modification of interest. This significantly simplifies the product ion data, enabling the product ions to be identified or compared to precursor ion spectra more efficiently.

Abstract: Disclosed herein is an ion guide comprising a plurality of axially stacked plates, wherein at least some or all of said plates comprise: a first electrically conductive portion; and a second electrically conductive portion, wherein the second electrically conductive portion is electrically isolated from the first electrically conductive portion, the first and second electrically conductive portions being shaped and arranged relative to each other so as to define an opening through which ions are axially transmitted in use; wherein, in use, a first AC or RF voltage is applied to the first electrically conductive portion and a second AC or RF voltage is applied to the second electrically conductive portion in order to confine ions radially within said opening. The first and second electrically conductive portions (1, 2) may be separately formed and interleaved within the ion guide to define the plates.

Abstract: A quadrupole ion trap apparatus includes a main electrode, a first end-cap electrode, a second end-cap electrode, and a phase-controlled waveform synthesizer. The phase-controlled waveform synthesizer generates a main RE waveform for the main electrode. The main RE waveform includes a plurality of sinuous waveform segments each of which is a part of a sine wave, and a plurality of phase conjunction segments each of which is non-sinuous. Each of the sinuous waveform segments is bridged to another sinuous waveform segment via one of the phase conjunction segments, so as to perform ordering of micro motions of sample ions trapped by the electrodes.

Abstract: A method of Fourier Transform ion mobility mass spectrometry is disclosed comprising determining the presence of different types of ions by determining that the different types of ions have different combinations of ion mobility and mass to charge ratio.

Abstract: A time-of-flight (TOF) sensor device is provided with features for correcting distance measurement offset errors caused by such factors as temperature, dynamic reflectivity ranges of objects in the viewing space, or other factors. In various embodiments, the TOF sensor device generates corrected distance values based on comparison of two different distance values measured for an object by two different measurement techniques, including but not limited to phase shift measurement, pulsed TOF measurement, distance measurement based on the focal length of the TOF sensor's lens, and comparison of distance variations with light intensity variations. In addition, some embodiments of the TOF sensor device perform self-calibration using internal waveguides or parasitic reflections as distance references.

Abstract: Provided are methods for determining the amount of reverse T3 in a sample using mass spectrometry. The methods generally involve ionizing reverse T3 in a sample and detecting and quantifying the amount of the ion to determine the amount of reverse T3 in the sample.

Abstract: An elemental mass spectrometer uses a mass filter to select ions from ions received from an ion source and transmit the selected ions. A reaction or collision cell receives the transmitted ions and reacts or collides these with a gas to provide product ions thereby. A mass analyzer receives the product ions, analyzes them and provides at least one output based on detection of the analyzed ions. The elemental mass spectrometer is operated to provide a first output from the mass analyzer measuring ions within a first analysis range of mass-to-charge ratios including a desired mass-to-charge ratio, M, to provide a second output from the mass analyzer measuring ions within a second analysis range of mass-to-charge ratios including a mass-to-charge ratio at least 0.95 atomic mass units lower than the desired mass-to-charge ratio, (M?i), i?0.95 and to correct the first output on the basis of the second output.

Abstract: A system for analyzing a sample includes a source; a mobility separator configured to separate ions based on a mobility in a gas; a plurality of ion channels; and a mass analyzer. The mobility separator includes a two-dimensional grid of electrodes spanning a passage between first and second walls. The first and second walls include an inlet aperture and a plurality of exit apertures, respectively. The two-dimensional grid of electrodes configured to generate an electric field within the passage. The plurality of ion channels arranged adjacent to the plurality of exit apertures. Movement of ions between the inlet aperture and the plurality of exit apertures are governed by the electric field and a gas flow through the passage between to the first and second walls such that the ions are sorted and directed to different channels based on their respective mobility.

Abstract: A data independent acquisition method of mass spectrometry for analysing a sample as it elutes from a chromatography system is disclosed. The method comprises the steps of: ionising the sample to produce precursor ions, selecting a precursor mass range for the sample to be analysed, performing a plurality of MS1 scans and performing at most two sets of MS2 scans. Each of the MS1 scans uses a mass analyser operated at a first, relatively higher resolution, for identification and/or quantitation of the sample in the MS1 domain across the precursor mass range. The set of MS2 scans comprises performing MS2 scans of fragmented mass range segments performed with the mass analyser, operated at a second, relatively lower resolution. In the method, the MS1 scans are interleaved throughout the performing of the set of MS2 scans such that the MS1 scans provide a mass chromatogram of the sample.

Abstract: A measure of abundance is determined for an element or element combination within a sample, the element or element combination having at least one isotopic variant. An isotopic mass spectral pattern is identified for the element or element combination that indicates an expected abundance and expected mass-to-charge ratio difference for each isotopic variant. These are identified relative to the respective abundance and mass-to-charge ratio of a principal isotope. The isotopic mass spectral pattern is compared with mass spectral data from a molecular mass analysis of the sample to identify peak groups, each matching the isotopic mass spectral pattern. A measure of abundance is determined for the element or element combination as a function of the intensity measurement of one or more peaks from each of the identified peak groups.

Abstract: Methods and software assisting a user in working with images of histological sections to increase the user's productivity and decrease the need for extensive expertise in anatomy. In some embodiments, the methods include methods of assisting a user in creating a 3D volume image of a tissue block from a series of images of histological sections taken from the tissue block. In some embodiments, the methods include methods of automatedly registering a live-view or stored histological section image to a tissue block atlas. In some embodiments, the methods include methods of annotating a histological section image with information from a tissue block atlas based on user input(s) associated with the tissue block atlas. In some embodiments, the methods include methods of automatedly controlling operation of an imaging modality, such as an optical microscope, based on user input(s) associated with a tissue block atlas. These and other methods may be embodied in various configurations of software.

Abstract: A multi-beam apparatus for observing a sample with high resolution and high throughput is proposed. In the apparatus, a source-conversion unit changes a single electron source into a virtual multi-source array, a primary projection imaging system projects the array to form plural probe spots on the sample, and a condenser lens adjusts the currents of the plural probe spots. In the source-conversion unit, the image-forming means is on the upstream of the beamlet-limit means, and thereby generating less scattered electrons. The image-forming means not only forms the virtual multi-source array, but also compensates the off-axis aberrations of the plurality of probe spots.

Abstract: The present invention provides a method for specifically cleaving a C?-C bond of a peptide backbone and/or a side chain of a protein and a peptide, and a method for determining amino acid sequences of protein and peptide. A method for specifically cleaving a C?-C bond of a peptide backbone and/or a side chain bond of a protein or a peptide, comprising irradiating a protein or a peptide with laser light in the presence of at least one hydroxynitrobenzoic acid selected from the group consisting of 3-hydroxy-2-nitrobenzoic acid, 4-hydroxy-3-nitrobenzoic acid, 5-hydroxy-2-nitrobenzoic acid, 3-hydroxy-5-nitrobenzoic acid, and 4-hydroxy-2-nitrobenzoic acid. A method for determining an amino acid sequence of a protein or a peptide, comprising irradiating a protein or a peptide with laser light in the presence of the above specific hydroxynitrobenzoic acid to specifically cleave a C?-C bond of a peptide backbone and/or a side chain bond, and analyzing generated fragment ions by mass spectrometry.

Abstract: A method of processing sensor logs is described. The method includes accessing a first sensor log and a corresponding first reference log. Each of the first sensor log and the first reference log includes a series of measured values of a parameter according to a first time series. The method also includes accessing a second sensor log and a corresponding second reference log. Each of the second sensor log and the second reference log includes a series of measured values of a parameter according to a second time series. The method also includes dynamically time warping the first reference log and/or and second reference log by a first transformation between the first time series and a common time-frame and/or a second transformation between the second time series and the common time-frame. The method also includes generating first and second warped sensor logs by applying the or each transformation to the corresponding ones of the first and second sensor logs.

Abstract: The invention relates to methods and devices for analysis of samples using laser ablation imaging mass cytometry and mass spectrometry. The invention provides methods and devices in which individual ablation plumes are distinctively captured and rapidly transferred to the ionization system, followed by analysis by mass spectrometry. A transfer conduit can be used to convey ablation plumes to an ionization system. The transfer conduit can include an asymmetric cone. The transfer conduit can be tapered. A flow sacrificing system can be adapted to divert a part of the sheath flow out a sacrificial outlet while the core of the sheath flow containing ablation plumes enters the ionization system.

Abstract: Certain configurations of ionization sources are described. In some examples, an ionization source comprises an ionization block, an electron source, an electron collector, an ion repeller and at least one electrode configured to provide an electric field when a voltage is provided to the at least one electrode. Systems and methods using the ionization source are also described.

Abstract: Methods of identification of at least one most likely elemental composition of at least one species of molecules contained in a sample and/or originated from a sample by at least one ionisation process are provided. The method includes measuring a mass spectrum of the sample and may include reducing the measured mass spectrum to a neutral mass spectrum. The method further includes determining for a peak of interest a set of candidate species of molecules which have an expected peak with a peak position within a peak position tolerance range in the corresponding measured mass spectrum or neutral mass spectrum. An identification mass spectrum is identified for each candidate species and a range of peak positions is determined of all peaks of the identification mass spectrum. Two subscores of candidate species are determined by comparing the identification spectra with the measured or neutral mass spectrum and final scores are calculated from the subscores.

Abstract: A signal intensity based on a total ion current signal or the like is calculated from mass spectra obtained by a normal mode of mass spectrometric analysis. When the signal intensity has exceeded an intensity threshold, the beginning time T0 of a chromatogram peak is estimated from that signal intensity as well as one or more previous signal intensities. An MS2 execution permission-beginning time Ts is calculated by adding, to the beginning time T0, a delay time Tdelay determined front a half-value width of the peak estimated according to an LC separation condition. At or after the point in time where the actual time passes Ts, a peak which satisfies a precursor-ion selection condition is selected on a mass spectrum obtained by the mass spectrometric analysis. Then, an MS2 analysis with the m/z of the selected peak as the target is immediately performed to obtain an MS2 spectrum.