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公开(公告)号：US11796518B2
公开(公告)日：2023-10-24
申请号：US17472791
申请日：2021-09-13
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo , Masaaki Ubukata
CPC classification number: G01N30/7206 , G01N30/8631 , H01J49/0036 , G01N2030/025 , H01J49/40
Abstract: An evaluation section identifies, in a list of candidate compounds, a group of candidate compounds having the degree of reverse similarity greater than or equal to a threshold s1. When all candidates in the group of candidate compounds have differences between the degrees of similarity that are greater than or equal to a threshold s2, the evaluation section judges that there is a composite state. The difference between the degrees of similarity is computed by subtracting the degree of forward similarity from the degree of reverse similarity. The similarity ratio may be used in place of the difference between the degrees of similarity.
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公开(公告)号：US20210175060A1
公开(公告)日：2021-06-10
申请号：US17111709
申请日：2020-12-04
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo , Masaaki Ubukata
IPC: H01J49/00
Abstract: Each estimated composition candidate is evaluated based on a mass spectrum produced using soft ionization and a mass spectrum produced using hard ionization. In the evaluation, a comparison between two measured isotope patterns (primary pattern matching), and a comparison between the measured isotope pattern and a theoretical isotope pattern (secondary pattern matching) are applied stepwise.
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公开(公告)号：US10522335B2
公开(公告)日：2019-12-31
申请号：US16104450
申请日：2018-08-17
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo
Abstract: A mass spectrometry data processing apparatus includes a data processing part and a calculation part. The calculation part calculates differences in mass among all pieces of the peak data from the peak list, calculates an intensity ratio that is a ratio of intensity between two pieces of the peak data used in calculating the difference, and generates difference-intensity ratio data. Further, the calculation part retrieves difference-intensity ratio data having the difference included in a section, calculates a sum of the intensity ratio of the retrieved difference-intensity ratio data, and calculates difference-intensity ratio distribution data.
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公开(公告)号：US20220375737A1
公开(公告)日：2022-11-24
申请号：US17746064
申请日：2022-05-17
Applicant: JEOL Ltd.
Inventor： Kenji Nagatomo , Masaaki Ubukata , Ayumi Kubo
Abstract: A composition estimation target peak is selected from a mass spectrum of a sample, and a group of measured isotope peaks related to the composition estimation target peak is selected. A composition candidate for the sample is estimated based on the composition estimation target peak. A distribution of a theoretical isotope peak corresponding to the composition candidate is calculated. Presence or absence of an adduct ion or a desorbed ion in the sample is determined based on a first mass difference between isotopes in a distribution of the measured isotope peaks and a second mass difference between isotopes in the distribution of the theoretical isotope peak.
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公开(公告)号：US10290481B2
公开(公告)日：2019-05-14
申请号：US15645092
申请日：2017-07-10
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo
IPC: H01J49/00
Abstract: A mass spectrometry data analysis method for analyzing a specimen having a composition where two different reference chemical structures A and B that are each repeated, includes acquiring exact mass information of each peak in a mass spectrum of the specimen by mass spectrometry, acquiring Kendrick mass defect information DA and DB where a decimal number part has been extracted from mass information obtained by performing Kendrick mass conversion computation processing on exact mass information of each peak, acquiring mass defect information dB and dA where a decimal number part has been extracted from mass information of B based on A and A based on B of the reference chemical structures A and B, calculating nA=DB/dA,nB=DA/dB regarding DA, DB, dA, and dB, and obtaining degree-of-polymerization information nA and nB, and displaying plots corresponding to each peak on two-dimensional coordinates where nA and nB are axes.
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Patent Agency Ranking
公开(公告)号：US20180019110A1
公开(公告)日：2018-01-18
申请号：US15645092
申请日：2017-07-10
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo
IPC: H01J49/00
CPC classification number: H01J49/0036
Abstract: A mass spectrometry data analysis method for analyzing a specimen having a composition where two different reference chemical structures A and B that are each repeated, includes acquiring exact mass information of each peak in a mass spectrum of the specimen by mass spectrometry, acquiring Kendrick mass defect information DA and DB where a decimal number part has been extracted from mass information obtained by performing Kendrick mass conversion computation processing on exact mass information of each peak, acquiring mass defect information dB and dA where a decimal number part has been extracted from mass information of B based on A and A based on B of the reference chemical structures A and B, calculating nA=DB/dA,nB=DA/dB regarding DA, DB, dA, and dB, and obtaining degree-of-polymerization information nA and nB, and displaying plots corresponding to each peak on two-dimensional coordinates where nA and nB are axes.
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公开(公告)号：US20240038513A1
公开(公告)日：2024-02-01
申请号：US18226493
申请日：2023-07-26
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo , Masaaki Ubukata , Kenji Nagatomo
CPC classification number: H01J49/0036 , G16C20/20
Abstract: A first searcher executes a primary search with respect to a primary library based on a sample mass spectrum. The primary library includes a plurality of standard mass spectra. When a judging unit judges that a search range is to be enlarged, a second searcher executes a secondary search with respect to a secondary library based on the sample mass spectrum. The secondary library includes a plurality of predicted mass spectra produced from a plurality of molecular structures.
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公开(公告)号：US11721535B2
公开(公告)日：2023-08-08
申请号：US17509381
申请日：2021-10-25
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo
CPC classification number: H01J49/0036 , H01J49/164
Abstract: An extraction section extracts a basic pattern of chemical noise included in a mass spectrum. A generation section generates pseudo chemical noise as a connected body of a plurality of pseudo fragments generated by intensity correction of the basic pattern. A removal section removes the pseudo chemical noise from the mass spectrum.
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公开(公告)号：US20220130653A1
公开(公告)日：2022-04-28
申请号：US17509381
申请日：2021-10-25
Applicant: JEOL Ltd.
Inventor： Ayumi Kubo
Abstract: An extraction section extracts a basic pattern of chemical noise included in a mass spectrum. A generation section generates pseudo chemical noise as a connected body of a plurality of pseudo fragments generated by intensity correction of the basic pattern. A removal section removes the pseudo chemical noise from the mass spectrum.
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公开(公告)号：US10804086B2
公开(公告)日：2020-10-13
申请号：US16208714
申请日：2018-12-04
Applicant: JEOL Ltd.
Inventor： Kenji Nagatomo , Masaaki Ubukata , Ayumi Kubo
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. The data processor includes: a molecular ion peak detector for detecting one molecular ion peak from the first mass spectrum; a fragment ion peak detector for detecting plural fragment ion peaks from the second mass spectrum; a composition estimator for obtaining estimated compositional formulas for the sample component from the molecular ion peak and obtaining estimated compositional formulas for fragments constituting the sample component from the fragment ion peaks; an assignment validity decision device for making decisions as to whether the estimated compositional formulas for the fragments can be assigned to the estimated compositional formulas for the sample component; and a degree of coincidence computing section for computing degrees of coincidence of the estimated compositional formulas for the fragments with the estimated compositional formulas for the analyte based on results of the decisions made by the assignment validity decision device.
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