JP5786776B2 - 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 - Google Patents

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 Download PDF

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JP5786776B2
JP5786776B2 JP2012064806A JP2012064806A JP5786776B2 JP 5786776 B2 JP5786776 B2 JP 5786776B2 JP 2012064806 A JP2012064806 A JP 2012064806A JP 2012064806 A JP2012064806 A JP 2012064806A JP 5786776 B2 JP5786776 B2 JP 5786776B2
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measurement
peak
identification
sample
identification probability
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JP2013195317A5 (https=
JP2013195317A (ja
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賢志 山田
賢志 山田
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Shimadzu Corp
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Shimadzu Corp
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Priority to JP2012064806A priority Critical patent/JP5786776B2/ja
Priority to US13/848,324 priority patent/US9520277B2/en
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    • 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
    • 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
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C99/00—Subject matter not provided for in other groups of this subclass
    • 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

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  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
JP2012064806A 2012-03-22 2012-03-22 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 Active JP5786776B2 (ja)

Priority Applications (2)

Application Number Priority Date Filing Date Title
JP2012064806A JP5786776B2 (ja) 2012-03-22 2012-03-22 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
US13/848,324 US9520277B2 (en) 2012-03-22 2013-03-21 Substance identification method and mass spectrometry system used for the same method

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
JP2012064806A JP5786776B2 (ja) 2012-03-22 2012-03-22 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

Publications (3)

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JP2013195317A JP2013195317A (ja) 2013-09-30
JP2013195317A5 JP2013195317A5 (https=) 2014-07-10
JP5786776B2 true JP5786776B2 (ja) 2015-09-30

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JP2012064806A Active JP5786776B2 (ja) 2012-03-22 2012-03-22 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

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JP (1) JP5786776B2 (https=)

Families Citing this family (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
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
JP6229529B2 (ja) * 2014-02-19 2017-11-15 株式会社島津製作所 イオントラップ質量分析装置及びイオントラップ質量分析方法
US9928999B2 (en) * 2014-06-11 2018-03-27 Micromass Uk Limited Flagging ADC coalescence
JP6465190B2 (ja) * 2017-10-31 2019-02-06 株式会社島津製作所 質量分析方法及び質量分析装置
CN115516301A (zh) * 2020-05-28 2022-12-23 株式会社岛津制作所 色谱质量分析数据处理方法、色谱质量分析装置以及色谱质量分析数据处理用程序
JP7537203B2 (ja) * 2020-09-23 2024-08-21 株式会社島津製作所 学習用データの生成装置、モデル学習装置、試料の特性推定装置、及びクロマトグラフ質量分析装置
DE102024119545A1 (de) * 2023-07-21 2025-01-23 Thermo Finnigan Llc Verbindungszusammenstellung

Family Cites Families (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP3766391B2 (ja) 2003-02-27 2006-04-12 株式会社日立ハイテクノロジーズ 質量分析スペクトルの解析システム
US7473892B2 (en) * 2003-08-13 2009-01-06 Hitachi High-Technologies Corporation Mass spectrometer system
JP4843250B2 (ja) * 2005-05-13 2011-12-21 株式会社日立ハイテクノロジーズ 質量分析を用いた物質の同定方法
EP2447980B1 (en) * 2010-11-02 2019-05-22 Thermo Fisher Scientific (Bremen) GmbH Method of generating a mass spectrum having improved resolving power
JP5655758B2 (ja) * 2011-10-17 2015-01-21 株式会社島津製作所 質量分析装置
JP5682540B2 (ja) * 2011-11-08 2015-03-11 株式会社島津製作所 質量分析データ処理方法、質量分析データ処理装置、及び質量分析装置
US8530831B1 (en) * 2012-03-13 2013-09-10 Wisconsin Alumni Research Foundation Probability-based mass spectrometry data acquisition

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US9520277B2 (en) 2016-12-13
JP2013195317A (ja) 2013-09-30
US20130253848A1 (en) 2013-09-26

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