JPWO2021240710A1 - - Google Patents

Info

Publication number
JPWO2021240710A1
JPWO2021240710A1 JP2022527380A JP2022527380A JPWO2021240710A1 JP WO2021240710 A1 JPWO2021240710 A1 JP WO2021240710A1 JP 2022527380 A JP2022527380 A JP 2022527380A JP 2022527380 A JP2022527380 A JP 2022527380A JP WO2021240710 A1 JPWO2021240710 A1 JP WO2021240710A1
Authority
JP
Japan
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Granted
Application number
JP2022527380A
Other languages
Japanese (ja)
Other versions
JPWO2021240710A5 (https=
JP7359302B2 (ja
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed filed Critical
Publication of JPWO2021240710A1 publication Critical patent/JPWO2021240710A1/ja
Publication of JPWO2021240710A5 publication Critical patent/JPWO2021240710A5/ja
Application granted granted Critical
Publication of JP7359302B2 publication Critical patent/JP7359302B2/ja
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Classifications

    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/0027—Methods for using particle spectrometers
    • H01J49/0036—Step by step routines describing the handling of the data generated during a measurement
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/62—Detectors specially adapted therefor
    • G01N30/72—Mass spectrometers
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/62—Detectors specially adapted therefor
    • G01N30/72—Mass spectrometers
    • G01N30/7233—Mass spectrometers interfaced to liquid or supercritical fluid chromatograph
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G01N30/8624—Detection of slopes or peaks; baseline correction
    • G01N30/8631—Peaks
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/004—Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G01N30/8675—Evaluation, i.e. decoding of the signal into analytical information
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G01N30/8675—Evaluation, i.e. decoding of the signal into analytical information
    • G01N30/8679—Target compound analysis, i.e. whereby a limited number of peaks is analysed

Landscapes

  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Health & Medical Sciences (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • General Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Electrochemistry (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
JP2022527380A 2020-05-28 2020-05-28 クロマトグラフ質量分析データ処理方法、クロマトグラフ質量分析装置、及びクロマトグラフ質量分析データ処理用プログラム Active JP7359302B2 (ja)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
PCT/JP2020/021064 WO2021240710A1 (ja) 2020-05-28 2020-05-28 クロマトグラフ質量分析データ処理方法、クロマトグラフ質量分析装置、及びクロマトグラフ質量分析データ処理用プログラム

Publications (3)

Publication Number Publication Date
JPWO2021240710A1 true JPWO2021240710A1 (https=) 2021-12-02
JPWO2021240710A5 JPWO2021240710A5 (https=) 2022-11-09
JP7359302B2 JP7359302B2 (ja) 2023-10-11

Family

ID=78723114

Family Applications (1)

Application Number Title Priority Date Filing Date
JP2022527380A Active JP7359302B2 (ja) 2020-05-28 2020-05-28 クロマトグラフ質量分析データ処理方法、クロマトグラフ質量分析装置、及びクロマトグラフ質量分析データ処理用プログラム

Country Status (4)

Country Link
US (1) US12512308B2 (https=)
JP (1) JP7359302B2 (https=)
CN (1) CN115516301A (https=)
WO (1) WO2021240710A1 (https=)

Families Citing this family (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US12512308B2 (en) * 2020-05-28 2025-12-30 Shimadzu Corporation Chromatograph mass spectrometry data processing method, chromatograph mass spectrometer, and chromatograph mass spectrometry data processing program
JP7562585B2 (ja) * 2022-02-25 2024-10-07 日本電子株式会社 部分構造推定装置及び部分構造推定モデル生成方法
CN115236260B (zh) * 2022-09-16 2022-12-06 华谱科仪(北京)科技有限公司 一种色谱数据储存方法、装置、电子设备及存储介质

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2015107690A1 (ja) * 2014-01-20 2015-07-23 株式会社島津製作所 タンデム質量分析データ処理装置
WO2019012589A1 (ja) * 2017-07-10 2019-01-17 株式会社島津製作所 質量分析装置、質量分析方法、及び質量分析用プログラム

Family Cites Families (33)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2005055370A (ja) * 2003-08-06 2005-03-03 Hitachi High-Technologies Corp 液体クロマトグラフ質量分析データ解析装置
US7348553B2 (en) * 2004-10-28 2008-03-25 Cerno Bioscience Llc Aspects of mass spectral calibration
GB0503411D0 (en) * 2005-02-18 2005-03-30 Shimadzu Res Lab Europe Ltd Mass spectrometry precursor ion selection
US7451052B2 (en) * 2005-05-29 2008-11-11 Cerno Bioscience Llc Application of comprehensive calibration to mass spectral peak analysis and molecular screening
GB0609253D0 (en) * 2006-05-10 2006-06-21 Micromass Ltd Mass spectrometer
JP5273144B2 (ja) * 2008-06-04 2013-08-28 株式会社島津製作所 質量分析データ解析方法及び質量分析データ解析装置
WO2010129187A1 (en) * 2009-05-08 2010-11-11 Thermo Finnigan Llc Methods and systems for matching productions to precursor ions
JP5372623B2 (ja) * 2009-07-03 2013-12-18 株式会社日立製作所 質量分析装置及び質量分析方法
US8809770B2 (en) 2010-09-15 2014-08-19 Dh Technologies Development Pte. Ltd. Data independent acquisition of product ion spectra and reference spectra library matching
US8935101B2 (en) * 2010-12-16 2015-01-13 Thermo Finnigan Llc Method and apparatus for correlating precursor and product ions in all-ions fragmentation experiments
JP5821670B2 (ja) * 2012-02-03 2015-11-24 株式会社島津製作所 アミノ酸配列解析方法及び装置
JP5810983B2 (ja) * 2012-03-12 2015-11-11 株式会社島津製作所 質量分析を用いた化合物同定方法及び化合物同定システム
JP5786776B2 (ja) * 2012-03-22 2015-09-30 株式会社島津製作所 物質同定方法及び該方法に用いられる質量分析システム
JP6020315B2 (ja) 2012-04-27 2016-11-02 株式会社島津製作所 質量分析データ処理方法及び質量分析データ処理装置
US10615017B2 (en) * 2013-03-26 2020-04-07 Shimadzu Corporation Mass spectrometer
EP3032571A4 (en) * 2013-08-08 2016-12-21 Shimadzu Corp TRIPLE QUADRUPOL MASS SPECTROMETER
JP6136771B2 (ja) * 2013-08-30 2017-05-31 株式会社島津製作所 物質同定方法及び該方法を用いる質量分析装置
US10473634B2 (en) * 2014-06-12 2019-11-12 Shimadzu Corporation Data processing device for mass spectrometry and program for said device
US10359405B2 (en) * 2014-06-12 2019-07-23 Shimadzu Corporation Analyzing-device controller
JP6149810B2 (ja) * 2014-06-13 2017-06-21 株式会社島津製作所 代謝物解析システム及び代謝物解析方法
US9754394B2 (en) * 2014-12-17 2017-09-05 Shimadzu Corporation Analytical data display processing device
JP6460252B2 (ja) * 2015-09-25 2019-01-30 株式会社島津製作所 定性分析のための質量分析データ処理装置
JP6595922B2 (ja) * 2016-01-22 2019-10-23 日本電子株式会社 マススペクトル解析装置、マススペクトル解析方法、質量分析装置、およびプログラム
JP6718694B2 (ja) * 2016-02-10 2020-07-08 日本電子株式会社 マススペクトル解析装置、マススペクトル解析方法、および質量分析装置
US10928358B2 (en) * 2016-03-16 2021-02-23 Shimadzu Corporation Mass spectrometer using judgement condition for display
US10935528B2 (en) * 2016-06-28 2021-03-02 Shimadzu Corporation Analysis device
CN109642890B (zh) * 2016-08-26 2021-08-10 株式会社岛津制作所 成像质谱分析数据处理装置及方法
JP2020183931A (ja) * 2019-05-06 2020-11-12 株式会社島津製作所 クロマトグラフ質量分析用データ処理方法、クロマトグラフ質量分析装置、及びクロマトグラフ質量分析データ処理用プログラム
JP7309159B2 (ja) * 2019-07-23 2023-07-18 株式会社島津製作所 質量分析方法、質量分析装置およびプログラム
US20230236159A1 (en) * 2020-05-25 2023-07-27 Shimadzu Corporation Chromatograph Mass Spectrometry Data Processing Method, Chromatograph Mass Spectrometer, and Chromatograph Mass Spectrometry Data Processing Program
US12512308B2 (en) * 2020-05-28 2025-12-30 Shimadzu Corporation Chromatograph mass spectrometry data processing method, chromatograph mass spectrometer, and chromatograph mass spectrometry data processing program
JP7779171B2 (ja) * 2022-02-24 2025-12-03 株式会社島津製作所 クロマトグラフ分析装置及びクロマトグラフ分析用プログラム
JP7779170B2 (ja) * 2022-02-24 2025-12-03 株式会社島津製作所 クロマトグラフ分析装置及びクロマトグラフ分析用プログラム

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2015107690A1 (ja) * 2014-01-20 2015-07-23 株式会社島津製作所 タンデム質量分析データ処理装置
WO2019012589A1 (ja) * 2017-07-10 2019-01-17 株式会社島津製作所 質量分析装置、質量分析方法、及び質量分析用プログラム

Non-Patent Citations (4)

* Cited by examiner, † Cited by third party
Title
PERIS-DIAZ MANUEL D. ET AL.: "R-MetaboList 2: A Flexible Tool for Metabolite Annotation from High-Resolution Data-Independent Acqu", METABOLITES, vol. 9, no. 187, JPN7023002594, 17 September 2019 (2019-09-17), pages 1 - 16, ISSN: 0005100926 *
SENTANDREU, ENRIQUE ET AL.: "A Survey of Orbitrap All Ion Fragmentation Analysis Assessed by an R MetaboList Package to Study Sma", CHROMATOGRAPHIA, vol. 81, JPN6023027828, 11 May 2018 (2018-05-11), pages 981 - 994, ISSN: 0005100928 *
TSUGAWA, HIROSHI ET AL.: "MS-DIAL: Data Independent MS/MS Deconvolution for Comprehensive Metabolome Analysis", NAT METHODS. AUTHOR MANUSCRIPT; AVAILABLE IN PMC 2015 DECEMBER 01., vol. 12, no. 6, JPN7023002593, 2015, pages 1 - 22, ISSN: 0005100927 *
津川裕司: "質量分析インフォマティクスによるMS/MSスペクトルの解釈と天然物構造推定", 日本化学会情報化学部会誌, vol. 37, no. 2, JPN6023027827, 21 October 2019 (2019-10-21), pages 45 - 50, ISSN: 0005100929 *

Also Published As

Publication number Publication date
US12512308B2 (en) 2025-12-30
US20230178348A1 (en) 2023-06-08
WO2021240710A1 (ja) 2021-12-02
JP7359302B2 (ja) 2023-10-11
CN115516301A (zh) 2022-12-23

Similar Documents

Publication Publication Date Title
BR112023005462A2 (https=)
BR112023012656A2 (https=)
BR112021014123A2 (https=)
BR112023009656A2 (https=)
BR112022009896A2 (https=)
BR112021017747A2 (https=)
JPWO2021240710A1 (https=)
BR112022024743A2 (https=)
BR112022026905A2 (https=)
BR112023011738A2 (https=)
BR112023004146A2 (https=)
BR112023006729A2 (https=)
BR102021018859A2 (https=)
BR102021015500A2 (https=)
BR112023016292A2 (https=)
BR112023011539A2 (https=)
BR112023011610A2 (https=)
BR112023008976A2 (https=)
BR102021020147A2 (https=)
BR102021018926A2 (https=)
BR102021018167A2 (https=)
BR102021016837A2 (https=)
BR102021016551A2 (https=)
BR102021016375A2 (https=)
BR102021016176A2 (https=)

Legal Events

Date Code Title Description
A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20220908

A621 Written request for application examination

Free format text: JAPANESE INTERMEDIATE CODE: A621

Effective date: 20220908

A131 Notification of reasons for refusal

Free format text: JAPANESE INTERMEDIATE CODE: A131

Effective date: 20230704

A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20230710

A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20230815

TRDD Decision of grant or rejection written
A01 Written decision to grant a patent or to grant a registration (utility model)

Free format text: JAPANESE INTERMEDIATE CODE: A01

Effective date: 20230829

A61 First payment of annual fees (during grant procedure)

Free format text: JAPANESE INTERMEDIATE CODE: A61

Effective date: 20230911

R151 Written notification of patent or utility model registration

Ref document number: 7359302

Country of ref document: JP

Free format text: JAPANESE INTERMEDIATE CODE: R151