Abstract: A scan of a separating sample is received by a mass spectrometer at each interval of a plurality of intervals. The spectrometer performs at each interval one or more mass spectrometry scans. The scans have one or more sequential mass window widths in order to span an entire mass range at each interval and produce a collection of spectra for the entire mass range for the plurality of intervals. One or more peaks at one or more different intervals in the collection of spectra are identified for a fragment ion. A mass spectrum of the entire mass range is retrieved for each interval of each peak. Values for one or more ion characteristics of a mass-to-charge ratio peak in the mass spectrum corresponding to each peak are compared to one or more known values for the fragment ion. Each peak is scored based on the comparison.

Abstract: An ion trap comprising: a first array of magnetic elements arranged to generate a first magnetic field with a degree of homogeneity; and an array of electrodes arranged to generate an electrostatic field including a turning point in electrical potential at a location where the magnetic field has a substantially maximum degree of homogeneity; wherein the array of electrodes is planar and parallel to the direction of the magnetic field at the location; and wherein a primary first magnetic element is arranged to generate a first component of the first magnetic field and other first magnetic elements are arranged to generate compensating components of the first magnetic field that reduce the gradient, the curvature and higher order derivatives of the first component of the first magnetic field at the location where the first magnetic field has the substantially maximum degree of homogeneity.

Abstract: A mass spectrometer is disclosed comprising an on trap and a fragmentation device. Ions are fragmented in the on trap to form first generation fragment ions. The ion trap has a relatively high mass cut-off. The first generation fragment ions are then transferred to a fragmentation device which is arranged to have a substantially lower low mass cut-off. The first generation fragment ions are fragmented within the fragmentation device any may optionally be stored in an ion accumulation region prior to being passed to a mass analyser for subsequent mass analysis.

Abstract: The present disclosure provides a mass spectrometer including means for producing a primary beam of ions for bombarding a sample under vacuum and a detector for detecting a secondary beam of ions released from the sample. The primary beam of ions includes a gaseous mixture of a cluster forming gas and one or more hydrogen-rich hydrocarbons.

Abstract: A method of operating a differential mobility spectrometer includes an ionization chamber, a filter channel and a detection region. In the ionization chamber, analyte ions are produced from a sample, the so-obtained ions are then subjected in the filter channel to a time-varying electric field. The time-varying electric field has a longitudinal field component drawing the analyte ions from the ionization chamber through the filter channel into the detection region and a transversal field component, which is the superposition of an asymmetrically oscillating transversal field causing the analyte ions to move to and fro in transversal direction and a compensation field for selecting a species of analyte ions by substantially canceling the average transversal velocity of the selected species.

Abstract: An ion detector for a Time of Flight mass spectrometer is disclosed comprising a single Microchannel Plate 1 which is arranged to receive ions 2 and output electrons 3. The electrons 3 are directed onto an array of photodiodes 4 which directly detects the electrons 3. The output from each photodiode 4 is connected to a separate Time to Digital Converter provided on an ASIC 5.

Abstract: A molecular weight is determined from an actually measured mass spectrum of a target substance, and a database search is performed to extract candidates of a chemical structural formula corresponding to the molecular weight (S2, S3). By using an algorithm for predicting a dissociation pattern, product ions to be produced by a dissociating operation are predicted for each candidate of the chemical structural formula (S4). The predicted pattern of the product ions is compared with an actually measured MS2 spectrum, and a degree of similarity representing the degree of matching of the pattern is calculated (S5). When there are a plurality of candidates of the chemical structural formula, the candidates are displayed in order of their degrees of similarity (S6).

Abstract: A coupled nanomanipulation and nanospray mass spectrometry (NMS) system for single cell, single organelle, and ultra-trace molecular analysis is disclosed herein. The system primarily comprises a bio-workstation coupled to a NMS. The bio-workstation primarily comprises of a nanomanipulator stage with a plurality of nano-positioners attached to a cabinet with a piezo voltage source and a pressure injector. The present invention further describes a fingerprint lift method that when coupled with the system disclosed herein can be used for retrieval and analysis of trace amounts of drug and explosive residues. The system described herein has been used in the areas of trace and document analysis within the forensic field, trace fiber analysis, and electrostatic lifts for illicit drugs, as well as document and painting analysis.

Abstract: A mass spectrometer is disclosed wherein an ion signal is split into a first and second signal. The first and second signals are multiplied by different gains and are digitised. Arrival time and intensity pairs are calculated for both digitised signals and the resulting time and intensity pairs are combined to form a high dynamic range spectrum. The spectrum is then combined with other corresponding spectra to form a summed spectrum.

Abstract: A method of detecting one or more compounds, chemicals or contaminants in a substrate by mass spectrometry is disclosed. A non-living substrate is analysed by contacting the substrate with a diathermy knife. An electric current is applied to the diathermy knife such that the diathermy knife vaporises a portion of the substrate. The vapour is aspirated via a sampling tube pumped by a venturi pump into a vacuum chamber of a mass spectrometer. Analyte molecules are aspirated into the vacuum chamber whereupon they impact a surface of the vacuum chamber and are ionised to form analyte ions which are then mass analysed.

Abstract: A miniature, low cost mass spectrometer capable of unit resolution over a mass range of 10 to 50 AMU. The mass spectrometer incorporates several features that enhance the performance of the design over comparable instruments. An efficient ion source enables relatively low power consumption without sacrificing measurement resolution. Variable geometry mechanical filters allow for variable resolution. An onboard ion pump removes the need for an external pumping source. A magnet and magnetic yoke produce magnetic field regions with different flux densities to run the ion pump and a magnetic sector mass analyzer. An onboard digital controller and power conversion circuit inside the vacuum chamber allows a large degree of flexibility over the operation of the mass spectrometer while eliminating the need for high-voltage electrical feedthroughs. The miniature mass spectrometer senses fractions of a percentage of inlet gas and returns mass spectra data to a computer.

Abstract: A method and an apparatus for determining a mobility of ions. The method includes the steps of modulating an ion beam with an ion gate which is controlled by a modulation function for generating a modulated ion beam, of guiding the modulated ion beam through a drifting region, of measuring a signal of the modulated ion beam after the modulated ion beam has passed the drifting region and of calculating a correlation of the modulation function and the signal in order to determine the mobility of the ions. The apparatus includes the ion gate, the drifting region through which the modulated ion beam is guidable, a detector by which the signal of the modulated ion beam is measurable after the modulated ion beam has passed the drifting region and a calculation unit by which the correlation of the modulation function and the signal is calculable in order to determine the mobility of the ions. An autocorrelation of the modulation function is a two-valued function.

Abstract: The present invention relates to ion mobility spectrometry, in particular to methods and devices for generating and delivering of ammonia gas as dopant into the ionization region of an ion mobility spectrometer. It provides an ion mobility spectrometer (IMS) with an ion source and device for generating ammonia gas, wherein the device comprises a dopant reservoir filled with alkali metal nitride or alkaline earth metal nitride, preferably lithium nitride and/or magnesium nitride, said reservoir being fluidly coupled to the ion source and to a water reservoir.

Abstract: A method includes the steps of dipping a capillary (e.g., a disposable glass capillary) into a food matrix to deposit a food sample on the capillary; attaching the capillary onto an Atmospheric Solids Analysis Probe (ASAP); loading the ASAP into an atmospheric pressure ionization (API) source enclosure; ionizing the food sample on the capillary within the API source enclosure; and analyzing the ionized sample for the presence of one or more phthalates.

Abstract: A mass spectrometer comprising means for producing a primary beam of ions for bombarding a sample under vacuum, and a detector for detecting a secondary beam of ions released from the sample. The primary beam of ions includes water clusters where each water cluster contains between 1 and 10,000 water molecules.

Abstract: There is provided (i) a method of analysing small molecules that may have a mass of <800 Da, in particular alkaloids, said method being generally referred to as MALDI-TOF-MS (or MALDI time-of-flight mass spectrometry), which is an acronym for a method of analysis by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. Also provided is (ii) a molecule according to formula (I) and the use of the molecule as a matrix in the analysis method.

Abstract: Specific peptides, and derived ionization characteristics of the peptides, from the Insulin Receptor protein (IR), and its isoforms IR-A and IR-B, that are particularly advantageous for quantifying the IR protein, IR-A isoform and/or IR-B isoform, directly in biological samples that have been fixed in formalin by the method of Selected Reaction Monitoring (SRM) mass spectrometry, or what can also be termed as Multiple Reaction Monitoring (MRM) mass spectrometry. Such biological samples are chemically preserved and fixed and are selected from tissues and cells treated with formaldehyde containing agents/fixatives including formalin-fixed tissue/cells, formalin-fixed/paraffin embedded (FFPE) tissue/cells, FFPE tissue blocks and cells from those blocks, and tissue culture cells that have been formalin fixed and or paraffin embedded.

Abstract: An ion source for a mass spectrometer is disclosed comprising an ultrasonic transducer which focuses ultrasonic energy onto a surface of a sample fluid without directly contacting the sample fluid.

Abstract: A scan of a separating sample mixture is received from a mass spectrometer at each interval of a plurality of intervals. It is determined at a first interval that a received mass spectrometry scan at the first interval and one or more preceding received mass spectrometry scans include a varying ion signal that represents an ion of a known compound and has an intensity above a threshold level. The mass spectrometer is instructed to perform a dependent scan for the ion at the first interval producing a spectrum for the known compound. A second interval is selected after the first interval where the varying ion signal has an intensity that is not above the threshold level. The mass spectrometer is instructed to perform a dependent scan for the ion at the second interval producing a spectrum for a background.

Abstract: The presence of hydrogen peroxide vapor is detected with high sensitivity. Oxygen molecules in the air are ionized by electrons generated by a discharge plasma, thereby producing an oxygen molecule negative ion O2?. The oxygen molecule negative ion O2? produced is supplied to a space in which a hydrogen peroxide molecule H2O2 is to be detected. If a hydrogen peroxide molecule H2O2 is present, a cluster ion O2?(H2O2) of the oxygen molecule negative ion O2? and hydrogen peroxide molecule H2O2 is produced. The hydrogen peroxide molecule H2O2, therefore, can be detected by mass spectrometry. Other gas-phase negative ions such as chloride ion Cl? can be used besides the oxygen molecule negative ion O2?.

Abstract: An ion detector system for a mass spectrometer is disclosed comprising an ion detector comprising an array of detector elements. The ion detector system is arranged to correct for tilt and non-linear aberrations in an isochronous plane of ions. The ion detector system generates separate first mass spectral data sets for each detector element and then applies a calibration coefficient to each of the first mass spectral data sets to produce a plurality of second calibrated mass spectral data sets. The plurality of second calibrated mass spectral data sets are then combined to form a composite mass spectral data set.

Abstract: Mass spectrometers ionize samples by matrix-assisted laser desorption (MALDI). The samples are located on a moveable support plate, and irradiated by a pulsed laser. A fast positional control of laser spots is provided via a system of rotatable mirrors to relieve strain on a support plate motion drive. If the spot position is finely adjusted by the mirror system and follows the movement of the sample support plate, the intermittent movement of the sample support can be replaced with a continuous uniform motion. The fast positional control allows more uniform ablation of a sample area. Galvo mirrors with low inertia may be used between the beam generation and a Kepler telescope in the housing of the laser. The positional control can also provide a fully automatic adjustment of MALDI time-of-flight mass spectrometers, at least if the ion-optical elements are equipped with movement devices.

Abstract: An ion mobility spectrometer instrument has a drift tube that is partitioned into a plurality of cascaded drift tube segments. A number of electric field activation sources may each be coupled to one or more of the plurality of drift tube segments. A control circuit is configured to control operation of the number of electric field activation sources in a manner that sequentially applies electric fields to the drift tube segments with a activation duration of at least one of the electric field activation sources different than that of the others to allow only ions having a predefined ion mobility or range of ion mobilities to travel through the drift tube. The drift tube segments may define a linear drift tube or a closed drift tube with a continuous ion travel path.

Abstract: A method and system for analyzing a sample for an iterative information dependent acquisition cycle is disclosed, the method comprising performing an initial survey mass spectrum to generate a spectral peak list from the initial survey mass spectrum, applying threshold criteria to the spectral peak list to generate a threshold spectral peak list, performing a dependent MS/MS on the threshold peak list to obtain a plurality of mass spectra, and based on the plurality of mass spectra, determining exclusion criteria for a plurality of subsequent surveys. For each subsequent scan, the exclusion criteria are applied to generate a precursor list. The subsequent mass spectra for precursors that are common to previous IDA cycles are summed with spectra for the plurality of mass spectra from previous IDA cycles to obtain summed mass spectra.

Abstract: An electrostatic ion mirror is disclosed providing fifth order time-per-energy focusing. The improved ion mirror has up to 18% energy acceptance at resolving power above 100,000. Multiple sets of ion mirror parameters (shape, length, and voltage of electrodes) are disclosed. Highly isochronous fields are formed with improved (above 10%) potential penetration from at least three electrodes into a region of ion turning. Cross-term spatial-energy time-of-flight aberrations of such mirrors are further improved by elongation of electrode with attracting potential or by adding a second electrode with an attracting potential.

Abstract: The present invention relates to providing a simple and highly reproducible method for measuring the concentration of acetic acid in blood plasma by using a gas chromatography/mass spectrometry (GC/MS), and more specifically relates to a method for measuring the concentration of acetic acid in blood plasma by using a gas chromatography/mass spectrometry (GC/MS), which comprises extracting acetic acid in blood plasma with methyl-tert-butyl ether (MTBE).

Abstract: An inorganic mass spectrometer capable of measuring a relevant and large or the full mass spectral range simultaneously may include a suitable ion source (e.g., an ICP mass spectrometer with an ICP ion source), an ion transfer region, ion optics to separate ions out of a plasma beam, a Mattauch-Herzog type mass spectrometer with a set of charged particle beam optics to condition the ion beam before an entrance slit, and a solid state multi-channel detector substantially separated from ground potential and separated from the potential of the magnet.

Abstract: A system and removing noise from a mass spectrometer signal for fraction collection is described herein.

Abstract: Close containers which are filled with a consumer product are tested on leakiness by means of mass spectrometry (10) in that an impact (AN(P)) by the consumer product (P) upon the surrounding atmosphere (A(P)) of the container to be leak tested is monitored by the mass spectrometry (10).

Abstract: The present disclosure relates to functionalized nanodiamonds comprising at least one MALDI matrix covalently bonded to a nanodiamond and compositions comprising the same. The present disclosure also relates to methods of performing matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS), for example on small molecules, using matrices comprising at least one MALDI matrix covalently bonded to a nanodiamond.

Abstract: An ion trap is provided between a collision cell and a time-of-flight mass separator. During a time period in which precursor ions derived from the same compound are selected with a quadrupole mass filter, a collision energy is changed from one to another. Various product ions that are produced by dissociation respectively under collision energies of the plurality of stages and precursor ions that are not dissociated are temporarily trapped in the ion trap, and are ejected in a packet form in the state where these ions are mixed, and are introduced into the time-of-flight mass separator 6 to be subjected to a mass spectrometry. Thereby, in a data processing unit, one MS/MS spectrum in which product ions produced in various dissociation modes under various CID conditions appear is created.

Abstract: A mass spectrometer having a multi-stage differential pumping system with an ion lens provided in a partition wall separating a second intermediate vacuum chamber and a third intermediate vacuum chamber, the incircle radii of ion guides and the size of the opening of the ion lens are determined so that the circumferential edge of the opening is located outside the circumferential surface of a virtual tubular body straightly connecting the incircle at the rear edge of the second ion guide in the front stage and the incircle at the front edge of the third ion guide in the rear stage. Although the ion lens is located in between, the radio-frequency electric field created by the second ion guide can be effectively connected to the radio-frequency electric field created by the third ion guide through the opening of the ion lens.

Abstract: An apparatus for detecting constituents in a sample includes a casing and an ionization chamber defined by the casing. The apparatus also includes an ion collector positioned downstream of the ionization chamber. The apparatus further includes a spectral analysis device coupled to the ion collector. The spectral analysis device is configured to generate a detection spectrum representative of ions collected at the ion collector. The detection spectrum includes an analyte peak portion and a peak tailing portion. The apparatus also includes a control system that is configured to generate a first pulse having a first polarity to initiate a discharge of stored ions from the ionization chamber. The control system is also configured to generate a second pulse substantially immediately after the first pulse. The second pulse has a second polarity opposite the first polarity and is configured to reduce the peak tailing portion.

Abstract: The invention relates to a method for identifying gases, which are ionized and the drift times of the positive and negative product ions through drift spaces are measured and the measured drift times are evaluated, wherein for measuring the drift times the product ions are accelerated to drift velocities by a resulting electrical field. It is provided that the positive and negative product ions move synchronously and in parallel in the same direction. The invention further relates to a device for identifying gases, which includes at least two drift tubes, wherein each of the drift tubes has at least one respective detector for detecting product ions. For this purpose, at least two drift tubes are arranged in parallel next to each other and are delimited, on one hand, by a common inlet system and, on the other hand, by at least one detector.

Abstract: There is provided an analysis apparatus including a unit for preparing a sample gas to be supplied to an ion mobility sensor and a control unit equipped with a function of controlling the unit that prepares the gas. The unit for preparing the gas includes a concentration adjusting mechanism that changes the concentration of the target chemical included in the sample gas, and the control unit includes a driver that acquires a measurement result of the ion mobility sensor and a flow control unit that controls the concentration adjusting mechanism in a direction where is improvement in the measurement result.

Abstract: An ion trap includes a containment region for containing ions, and a plurality of electrodes positioned on a regular polyhedral structure encompassing the containment region. An electrode is positioned on each vertex of the encompassing structure and at least one of the polygonal surfaces includes additional electrodes configured to form a plurality of quadrupoles on the surface. Alternating RF voltage is applied to the plurality of electrodes, so that directly neighboring electrodes are of equal amplitude and opposite polarity at any point in time. This configuration on the polyhedral structure forms a potential barrier for repelling the ions from each of the regular polygonal surfaces and containing them in the trap. Mass selective filters can be formed from the quadrupoles for parallel mass analysis in different m/z windows. Application of a small DC potential to a plate electrode outside the quadrupoles preferentially depletes single charged ions for enhanced signal-to-noise analysis.

Abstract: A mass spectrometer of reduced size and weight is provided which is capable to conduct highly accurate mass spectroscopy. The mass spectrometer includes an ion source adapted to ionize gas flowing in from outside in order to ionize a measurement sample and a mass spectroscopy section for separating the ionized measurement sample. The ion source has its interior reduced in pressure by differential pumping from the mass spectroscopy section and ionizes the gas when the interior pressure rises as it inhales the gas, and the mass spectroscopy section separates the ionized measurement sample when its interior pressure falls after inhale of the gas. The mass spectrometer may further include a restriction device for suppressing a flow rate of the gas the ion source inhales and an open/close device for opening and closing a flow of the gas the ion source inhales.

Abstract: One aspect of the invention provides a liquid chromatography system including: a first solvent manager configured to dispense various ratios of a first solvent and a second solvent; a first column in fluid communication with the first solvent manager; a mixer in fluid communication with the first column; a first valve in fluid communication with the mixer; a second column having a first end in fluid communication with a first port of the first valve and a second end in fluid communication with a second port of the first valve; a second solvent manager adapted and configured to dispense various ratios of a third solvent and a fourth solvent; and a second valve in fluid communication with the second solvent manager, the first valve, and the mixer. The first valve and the second valve are adapted and configured for actuation between and a second position.

Abstract: The present invention is related to a method for diagnosing Niemann-Pick disease in a subject comprising a step a), wherein the step a) comprises detecting a biomarker in a sample from the subject.

Abstract: An ion inlet for a mass spectrometer is disclosed comprising a housing having a sampling orifice and an atmospheric pressure orifice. One or more gas outlets are provided in the housing. Gas is drawn through the sampling orifice by a pump so that the gas exits via the one or more gas outlets.

Abstract: The invention relates to the characterization of samples which are located in their many hundreds up to tens or hundreds of thousands on a sample support plate in a regular pattern, a so-called array, by ionization with matrix-assisted laser desorption and mass spectrometric measurement, for example. The invention proposes that the position of the sample pattern, and thus the position of each sample in the measuring instrument, for example a mass spectrometer, should be determined by measuring at least two finely structured internal position recognition patterns, such as fine crosses. The position recognition patterns are preferably applied as the samples are generated, with the same apparatus which also generates the sample pattern. A mass spectrometer in which laser spots with diameters of only four to five micrometers can be generated, which can preferably be positioned with an accuracy of one micrometer or better, is particularly suitable for the characterization.

Abstract: Metabolites and signatures (panels) of metabolites are applicable as biomarkers in clinical diagnosis, in particular for neonatal encephalopathy. They are useful tools in differential clinical diagnosis for early detection of brain injury, determination of brain areas affected by the insults and prediction of adverse neurological outcome and may also be applied in diagnosing disease progression and treatment effect. An in vitro method for predicting the likelihood of neonatal encephalopathy of distinct brain areas, identification of affected brain area(s) of neonatal encephalopathy and risk of brain damage and prognosis and neurological outcome due to identification of the type and extent of damage of distinct brain tissues, in particular of hippocampus and/or basal ganglia, is provided.

Abstract: A method for automatically checking and adjusting a calibration of a mass spectrometer having a first quadrupole (Q1), a fragmentation cell and a mass analyzer comprises: introducing a sample having at least one known chemical entity; decreasing a kinetic energy so as to prevent fragmentation of ions in the fragmentation cell; optionally applying a drag field to the fragmentation cell; ionizing the at least one known chemical entity sample to generate a set of ions; performing a mass scan of the set of ions using Q1; transmitting the scanned ions through Q1 to and through the fragmentation cell; detecting the scanned and transmitted ions by a detector of the mass analyzer; and comparing the results with expected results. Embodiments may include automatic recalibration or notification of possible errors, need for further data processing or an analysis of system performance.

Abstract: The invention generally relates to systems and methods for mass spectrometry analysis of samples. In certain embodiments, the invention provides a mass spectrometry probe including at least one porous material connected to a high voltage source, in which the porous material is discrete from a flow of solvent.

Abstract: Ion guides for use in mass spectrometry (MS) systems are described. The ion guides are configured to provide a reflective electrodynamic field and a direct current (DC or static) electric field to provide ion beams that are more spatially confined with a comparatively large mass range.

Abstract: Disclosed herein is a method for discriminating sitosterolemia by simultaneously measuring relative concentrations of phytosterol and cholesterol metabolism-related compounds in a blood spot on the paper. According to the present disclosure, sitosterolemia may be quickly discriminated with high accuracy by simple sample collecting using a trace amount of blood spot stained on a paper, and it may be used for newborn screening and preschool children, particularly patients with xanthoma.

Abstract: A method for transmitting ions entrained in a flowing carrier gas into and through a gap defined by a pair of mutually facing curved electrodes comprises: inputting the ions and flowing gas into the gap through an ion inlet orifice of a first one of the pair of electrodes, the ion inlet orifice comprising an orifice wall, an orifice inlet end and an orifice outlet end, the orifice wall being smoothly convexly curved between the inlet end and the outlet end, wherein a width of the gap and a flow rate of the carrier gas through the ion inlet orifice and gap are such that the gas flow is laminar within the ion inlet orifice and gap.

Abstract: The invention relates to a method and a device for optimization of electric fields in measurement cells of Fourier transform ion cyclotron resonance mass spectrometers. The invention is based on the rationale that asymmetric electric fields with uniformly or non-uniformly perturbed field axes can appear in ion cyclotron resonance cells and therefore the axis of the magnetron orbit can become radially displaced. Shifted magnetron orbits negatively affect the cyclotron excitation, deteriorate the FT-ICR signal, increase the intensity of an even-numbered harmonics peak, lead to stronger side bands of the FT-ICR signal, and in extreme cases, cause loss of ions. The present invention helps in probing the shift of the magnetron motion, detecting parameters indicative of the offset of the electric field axis and/or correcting it by trimming it back to the geometric axis of the cell.

Abstract: The invention generally relates to systems and methods for mass spectrometry analysis of microorganisms in samples.

Abstract: A method of analyzing a sample is disclosed comprising transmitting a first population of ions through a mass spectrometer and switching a state or mode of the mass spectrometer to produce a second population of ions. A sequential stream of mass spectra is acquired asynchronously with respect to switching the state or mode of the mass spectrometer. The stream of mass spectral data is then post-processed to produce mass spectra corresponding predominantly to the first and second population of ions.