108results about "Spectrometer combinations" patented technology

One mode of a chromatograph mass spectrometer according to the present invention includes: a measurement unit (1) that includes a chromatograph unit (1A) and a mass spectrometry unit (1B) capable of performing MS / MS analysis, and collects chromatograph mass spectrometry data having three dimensions of time, m / z, and a signal intensity by repeatedly performing the MS / MS analysis by data independent analysis in the mass spectrometry unit on a sample containing a compound separated by the chromatograph unit; a component detection unit (42) that detects a compound and a component corresponding to a partial structure of the compound by obtaining MS / MS spectra of a bar graph presentation based on chromatograph mass spectrometry data over a predetermined m / z range for a target sample, estimating precursor ion peaks in each of the MS / MS spectra, and selecting peaks based on a predetermined standard regarding an m / z direction in each of the MS / MS spectra and a predetermined standard regarding a time direction for peaks that can be considered to be identical or an identical group on the MS / MS spectra; a narrowing unit (43, 44) that narrows down components to be analyzed by performing screening using prior information on the detected component; and a composition estimation unit (45) that, by using m / z information corresponding to a narrowed down component, estimate a composition or a chemical formula of the component.

A system includes a first pre-separation device configured to perform a first pre-separation of precursor ions according to mobilities of the precursor ions and a second pre-separation device positioned downstream of the first pre-separation device configured to perform a second pre-separation of precursor ions based on a mass-to-charge ratio (m / z) of the precursor ions. The system further includes a mass spectrometer positioned downstream of the second pre-separation device configured to acquire mass spectra for precursor ions emitted from the second pre-separation device. The second pre-separation device is synchronized with the mass spectrometer such that an m / z range of precursor ions emitted from the second pre-separation device corresponds to a precursor m / z isolation window of the mass spectrometer.

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

Disclosed herein are methods and systems for individual ion mass spectrometry (I2MS). The methods and systems described herein parse I2MS data and allows for informed tandem mass spectrometry analyses by determining a target m / z that increases the yield of an intact mass corresponding to an analyte of interest while reducing the yield of additional detectable masses.

A method for multiple reaction monitoring using a mass spectrometer (106) is proposed. The method comprises i) measuring (128), using a mass spectrometer (106), multiple reaction monitoring transitions of both a quantifier and a qualifier of both an internal standard and an analyte using alternating multiple reaction monitoring, the alternating multiple reaction monitoring comprising at least three multiple reaction monitoring channel groups, one of the multiple reaction monitoring channel groups being measured at the respective theoretical m / z values of both the quantifier and the qualifier of both the internal standard and the analyte, and the two other multiple reaction monitoring channel groups being measured at respective m / z values shifted by a predetermined level higher and lower; ii) comparing (130), for at least two of the groups, at least two of the quantifier / qualifier ratios of the multiple reaction monitoring transitions of the internal standard with reference values from a database (126) using at least one processing device (120), the comparing including determining a deviation between the quantifier / qualifier ratio and the reference value; iii) determining (132), if at least one deviation of the quantifier / qualifier ratio is within at least one predetermined tolerance range, using a processing device (120), a measurement result from the measured multiple reaction monitoring transitions of the analyte and the internal standard, and, if not, rejecting (136) the measured multiple reaction monitoring transitions; and including.

A system includes a first pre-separation device configured to perform a first pre-separation of precursor ions according to mobilities of the precursor ions and a second pre-separation device positioned downstream of the first pre-separation device configured to perform a second pre-separation of precursor ions based on a mass-to-charge ratio (m / z) of the precursor ions. The system further includes a mass spectrometer positioned downstream of the second pre-separation device configured to acquire mass spectra for precursor ions emitted from the second pre-separation device. The second pre-separation device is synchronized with the mass spectrometer such that an m / z range of precursor ions emitted from the second pre-separation device corresponds to a precursor m / z isolation window of the mass spectrometer.

In one aspect, a system and method for calibrating a hybrid mass spectrometer is provided. The calibration may include an accurate mass calibration and, for example, a nominal mass calibration performed over multiple transmission widths and scan rates, ideally applied to each reference standard, where each reference standard represents a different m / z, to generate a matrix of correction factors corresponding to each of the transmission width and scan rate pairs at m / z values ​​for the reference standard being evaluated. Multi-parameter interpolation may be applied to identify correction factors to be used for subsequent analysis transmission width and scan rate pairs that differ from the multiple transmission widths and scan rates used to generate the correction factors.

Analyzer, which includes the following: an ion source (1); an ion mobility separation element (7) containing a pair of opposing electrodes (3, 4) to which a high-frequency voltage (13) and a direct current voltage (14) are applied; and a shielding electrode (2, 42, 43, 46) which is provided between the ion source (1) and the ion mobility separation part (7) and to which a DC voltage (12, 70) is applied, wherein the shielding electrode (2, 42, 43, 46) has an ion flow path (8, 41, 45, 47, 49) which connects an inlet (60), from which ions are introduced from the ion source (1), with an outlet (62), from which the ions are released, and the ion flow path (8, 41, 45, 47, 49) includes a cylindrical section which is bent in its middle so that the outlet (36) cannot be seen from the inlet (60).

Desorber 600 has body 610 which can be removably coupled to a sample inlet of a chemical trace detection system. Sample heater 640 can desorb a sample held in sample trap 630 coupled to sample holder

To provide a system for performing multiplexed ion pre-separation for mass spectrometry.SOLUTION: The system includes a pre-separation device for separating the precursor ions into a set of discrete fractions of precursor ions based on a physical property of the precursor ions and for sequentially transmitting a first subset of the discrete fractions of precursor ions included in the set of discrete fractions of precursor ions. The system further includes a mass spectrometer positioned downstream of the pre-separation device for receiving the first subset of the discrete fraction of precursor ions. The mass spectrometer includes an ion storage for accumulating a first population of product ions generated from each discrete fraction of precursor ions included in the first subset of discrete fractions of precursor ions and a mass analyzer for performing mass analysis of the first population of product ions.SELECTED DRAWING: Figure 1

A method of mass and / or mobility spectrometry comprises: separating a sample with a chromatography device such that different analytes in the sample have different retention times in the chromatograph

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.

The present teachings generally relate to generating a pseudo-barrier via an axial RF field. A first voltage is applied to a first pair of rods arranged in a multi-pole configuration, a second RF voltage is applied to a second pair of rods, and a difference between magnitudes and / or phases of the first and second RF voltages is adjusted. As discussed in more detail herein, such a pseudo-barrier may be employed in a variety of different applications. As an example, such a pseudo-barrier may be used to trap ions within a rod group that includes a plurality of rods arranged in a multi-pole configuration. In other applications, adjusting the height of the pseudo-potential barrier established in the rod set along with the application of a DC potential between the rod set and an external electrode can be used to cause mass-selective extraction of ions trapped within the rod set. In other applications, such a pseudo-barrier may be employed in a multiplexing method to perform mass spectrometry.

A method of mass spectrometry and / or mobility spectrometry includes: providing an ion separation device including a plurality of electrodes; providing a first force to urge the ions in a first direction along an axis of the ion separation apparatus while also providing a second force to urge the ions in a second, opposite direction such that ions of different mobility or mass-to-charge ratios reach different equilibrium positions at different locations along the axis; and varying the first force and / or the second force during a single elution cycle of the ion separation device so as to sequentially release ions from the ion separation device in an increase order of ion mobility or mass-to-charge ratio or in a decrease order of ion mobility or mass-to-charge ratio; wherein the altering step is performed such that, during the elution cycle, ions in a first range of mobility or mass-to-charge ratio are eluted from the ion separation device at a first rate and ions in a second, separate range of mobility or mass-to-charge ratio are eluted from the ion separation device at a second, different rate.

Oral compositions and methods for providing topical photoprotection against ultraviolet (UV) radiation are disclosed, wherein active photoprotective agents are designed, optimized, synthesized, and detected using artificial intelligence (AI) driven platforms. The invention encompasses AI-driven methods for designing novel photoprotective molecules (e.g., “Compound X-Sweat”) with specific physicochemical properties conducive to glandular excretion (via sweat and / or sebum) and optimized UV absorption characteristics. The invention further includes the novel AI-designed compounds themselves, plausible methods for their chemical synthesis, and synergistic photoprotective systems designed by AI for broad-spectrum coverage, multi-pathway excretion, and / or enhanced glandular excretion of photoprotective agents, with synergy being quantitatively defined. Additionally, methods for detecting and quantifying these agents on a subject's skin surface following oral administration are provided, serving as a companion diagnostic and means for verifying efficacy and infringement. The AI-designed agent(s), following oral administration, are excreted onto the skin surface, forming a protective layer or achieving a localized concentration effective to absorb or scatter UV radiation or provide antioxidant effects, thereby enabling a systemic route to persistent, broad-spectrum, and user-friendly photoprotection without the drawbacks of topical sunscreen reapplication.

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. Thus, a graphic having a higher level of SN ratio, sensitivity and dynamic range than an MS imaging graphic obtained at a single product ion can be created and displayed.

The present teachings are generally directed to a method of performing mass spectrometry, the method comprising dissociating a plurality of precursor ions to generate a first set of product ions, where ions having substantially the same m / z are associated in one group, and where the first set of product ions comprises at least two groups of ions having different m / z. The method further includes introducing a first set of product ions into the ion trap; different groups of the first set of product ions are transferred from the ion trap to an ion dissociation device over different time intervals to dissociate at least a portion of the first set of product ions to generate a second set of product ions, and a mass spectrum of the second set of product ions is acquired.

A mass spectrometer comprises an ion source 10 (Figure 1), a mass pre‐filter 20 downstream of the ion source, a collision cell 30 (Figure 1), at least one mass filter downstream of the collision cell,

A method includes measuring a first physicochemical property of analyte ions to generate a dataset, and identifying a first group of analyte ions within the dataset. Each analyte ion in the first group has a value for an attribute corresponding to a first value or a first range of the attribute. The method further includes selecting a first calibration from a plurality of different calibrations associated with the first value or the first range of the attribute, and using the first calibration to calibrate the measured first physicochemical property of the first group of analyte ions.

A compound is separated or introduced from a sample at a plurality of different times. The compound is ionized, producing an ion beam. The compound is selected and mass analyzed or the compound is selected, fragmented, and fragments of the compound are analyzed from the ion beam at the plurality of different times, producing a plurality of mass spectra. An XIC is calculated for the compound using the plurality of mass spectra. A chemical structure of the compound received in notation form is converted to a numerical vector using a processing algorithm operable to convert the notation form to the numerical vector. A plurality of peak shape parameters is calculated for the compound using the numerical vector and a machine trained model. A peak of the XIC is identified as a peak of the compound using the plurality of peak shape parameters and optionally a peak integration algorithm.

A method of performing mass spectrometry includes accumulating ions resulting from components eluted from a chromatographic column over an accumulation time and transferring the accumulated ions to a mass analyzer. During an acquisition, a mass spectrum is acquired of detected ions originating from the transferred ions. An elution profile is obtained from a series of acquired mass spectra including the acquired mass spectrum and a plurality of previously acquired mass spectra. The elution profile includes a plurality of detection points representing a change in intensity of the detected ions over time. A current signal state of the elution profile is classified based on a subset of detection points included in the plurality of detection points. The accumulation time is set for a next acquisition of a mass spectrum based on the classified current signal state of the elution profile.

A method of mass spectrometry comprises, for each of a plurality of sub-ranges selected from an overall m / z range: configuring an ion beam splitter (Figs 16A & 16B) or ion switch to either simultaneou

Techniques disclosed herein can improve the extraction of chemicals prior to analysis by GC or GCMS. A liquid or solid sample can be placed in a sample container of a closed system under vacuum that further includes a sample extraction device. The assembly can be placed in a 3-zone heater that can separately control the temperature of the bottom of the sample container, the top of the sample container, and the sample extraction device. Vapor flux from the bottom of the sample container into the headspace of the sample container can deliver compounds of interest to the sample extraction device, whereas matrix compounds can re-condense in the headspace of the sample container to avoid delivery to the sample extraction device. Extraction can continue until substantial transfer of compounds of interest to the sorbent occurs, followed by thermal desorption of the extract into a GCMS for analysis.

A sample is separated by a first separator into constituent analytes over a time parameter before further analysis by a mass spectrometer. Intensity measurements against mass-to-charge ratio for each

In one aspect, a method of performing mass spectrometry is disclosed, which includes acquiring mass detection signals generated by an ion detector during an ion extraction event in a time-of-flight (ToF) mass analyzer in response to incidence of ions thereon, and applying an adjustable gain to the mass detection signals, wherein the step of applying the adjustable gain to the mass detection signals is performed dynamically based on m / z regions associated with said mass detection signals.

A method for multiple reaction monitoring using a mass spectrometry device (106) is proposed. The method comprises the following steps: i) (128) measuring, by using the mass spectrometry device (106), multiple reaction monitoring transitions of quantifier and qualifier of both an internal standard and an analyte using staggered-multiple reaction monitoring, wherein the staggered-multiple reaction monitoring comprises at least three multiple reaction monitoring channel groups, wherein one of the multiple reaction monitoring channel groups measure at respective theoretical m / z values of the quantifier and qualifier of both the internal standard and the analyte and the two other multiple reaction monitoring channel groups measure at respective m / z values shifted to higher and lower values by a predefined level; ii) (130) comparing, for at least two groups, at least two of the quantifier / qualifier ratios of the multiple reaction monitoring transitions of the internal standard with a reference value from a database (126) by using at least one processing device (120), wherein the comparison comprises determining a deviation between the quantifier / qualifier ratios and the reference value; iii) (132) determining from the analyte and the internal standard measured multiple reaction monitoring transitions a measurement result by using the processing device (120), if the deviation for at least one of the quantifier / qualifier ratios is within at least one predefined tolerance range, otherwise rejecting (136) the measured multiple reaction monitoring transitions.

Described herein are methods for analyzing biological samples by liquid chromatography-tandem mass spectrometry or direct injection mass spectrometry.

A mass spectrometry procedure comprising: (a) eluting a sample from a chromatography system; (b) calculating a desired maximum duration of mass analysis scans (Dmax) for the sample eluting from the chromatography system based on the duration of a chromatographic peak of the sample while eluting from the chromatography system, a minimum number (M) of mass analysis scans to be performed per chromatographic peak, and a number (N) of target analytes to be identified in the sample eluting from the chromatography system at that time; (c) calculating a maximum accumulation time of sample ions (Amax) based on the desired maximum duration of the mass analysis scans (Dmax); (d) ionizing the sample to generate sample ions using an ion source; (e) guiding the sample ions along an ion pathway from the ion source to a mass analyzer;(f) Performing a first set of mass analysis scans, each of the first set of mass analysis scans comprising: accumulating a fraction of sample ions at a location along the ion trajectory, the fraction of sample ions being accumulated for a duration not exceeding the maximum accumulation time of sample ions (Amax); and mass-analyzing the fraction of sample ions using the mass analyzer (110), wherein the mass analyzer (110) is a Fourier transform mass analyzer or a time-of-flight mass analyzer.

The invention generally relates to systems and methods for analyzing operational status of an electronic instrument. In certain embodiments, the invention provides systems that include a sampling module that operable couples to an electronic instrument in a manner that the sampling module receives a vapor emitted from the electronic instrument, the sampling module comprising an ionization source and one or more mass analyzers to thereby produce a chemical signature of one or more analytes in the vapor; and an analysis module operable coupled to the sampling module to receive the chemical signature of the one or more analytes in the vapor and compare the received chemical signature to a database of known chemical signatures to thereby determine operational status of the electronic instrument.

The invention relates to a method for separating ions and a trapped ion mobility separator. The trapped ion mobility separator 10 comprises an ion guide 12 extending in a closed loop which contains a