JP2015503746A - 滞留時間の決定または確認のための窓処理質量分析データの使用 - Google Patents

滞留時間の決定または確認のための窓処理質量分析データの使用 Download PDF

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JP2015503746A
JP2015503746A JP2014549552A JP2014549552A JP2015503746A JP 2015503746 A JP2015503746 A JP 2015503746A JP 2014549552 A JP2014549552 A JP 2014549552A JP 2014549552 A JP2014549552 A JP 2014549552A JP 2015503746 A JP2015503746 A JP 2015503746A
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mass
peak
intervals
interval
peaks
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JP2015503746A5 (enExample
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スティーブン エー． テイト，
スティーブン エー． テイト，
ライル バートン，
ライル バートン，
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ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド
ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド
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Publication of JP2015503746A publication Critical patent/JP2015503746A/ja
Publication of JP2015503746A5 publication Critical patent/JP2015503746A5/ja
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    • 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
    • G01N30/8634—Peak quality criteria
    • 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
    • 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
    • H01J49/0027—Methods for using particle spectrometers
    • H01J49/0031—Step by step routines describing the use of the apparatus
    • 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
    • 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
    • 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
    • H01J49/0045—Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn characterised by the fragmentation or other specific reaction
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/26—Mass spectrometers or separator tubes

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  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Health & Medical Sciences (AREA)
  • Biochemistry (AREA)
  • General Physics & Mathematics (AREA)
  • General Health & Medical Sciences (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Quality & Reliability (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Electron Tubes For Measurement (AREA)
JP2014549552A 2011-12-29 2012-12-15 滞留時間の決定または確認のための窓処理質量分析データの使用 Pending JP2015503746A (ja)

Applications Claiming Priority (3)

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US201161581423P 2011-12-29 2011-12-29
US61/581,423 2011-12-29
PCT/IB2012/002723 WO2013098618A1 (en) 2011-12-29 2012-12-15 Use of windowed mass spectrometry data for retention time determination or confirmation

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JP2016227513A Active JP6494588B2 (ja) 2011-12-29 2016-11-24 滞留時間の決定または確認のための窓処理質量分析データの使用

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US (2) US9343276B2 (enExample)
EP (1) EP2798664B1 (enExample)
JP (2) JP2015503746A (enExample)
KR (1) KR102044211B1 (enExample)
CN (2) CN107066789B (enExample)
CA (1) CA2862255A1 (enExample)
WO (1) WO2013098618A1 (enExample)

Cited By (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2018504600A (ja) * 2015-02-05 2018-02-15 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 干渉検出および着目ピークのデコンボルーション
JP2018504601A (ja) * 2015-02-05 2018-02-15 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 曲線減算を介する類似性に基づく質量分析の検出

Families Citing this family (25)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US10141169B2 (en) 2012-11-15 2018-11-27 Dh Technologies Development Pte. Ltd. Systems and methods for identifying compounds from MS/MS data without precursor ion information
JP6362611B2 (ja) * 2012-11-15 2018-07-25 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 前駆体イオン情報を使用することなくｍｓ／ｍｓデータから化合物を同定するシステムおよび方法
EP3157042B1 (en) * 2013-10-16 2021-01-13 DH Technologies Development Pte. Ltd. Systems and methods for identifying precursor ions from product ions using arbitrary transmission windowing
WO2015056065A1 (en) * 2013-10-16 2015-04-23 Dh Technologies Development Pte. Ltd. Systems and methods for arbitrary quadrupole transmission windowing
EP3198627B1 (en) * 2014-09-26 2025-10-29 Micromass UK Limited Accurate mobility chromatograms
JP6571770B2 (ja) * 2014-11-13 2019-09-04 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 修飾化合物の識別の決定
US20180108521A1 (en) * 2015-03-11 2018-04-19 DH Technologies Development Pte Ltd. Method of Increasing Quality of Tandem Mass Spectra
JP6831337B2 (ja) 2015-05-29 2021-02-17 ウオーターズ・テクノロジーズ・コーポレイシヨン 質量スペクトルデータを処理する技術
CN109643633B (zh) * 2016-08-10 2021-09-14 Dh科技发展私人贸易有限公司 自动化质谱库保留时间校正
JP6695087B2 (ja) * 2016-11-23 2020-05-20 アトナープ株式会社 一組のガスに対応する一組の質量電荷比を求めるためのシステムおよび方法
WO2018116039A1 (en) * 2016-12-20 2018-06-28 Dh Technologies Development Pte. Ltd. Automated expected retention time and optimal expected retention time window detection
GB2559395B (en) 2017-02-03 2020-07-01 Thermo Fisher Scient Bremen Gmbh High resolution MS1 based quantification
EP3958290B1 (en) 2017-06-02 2024-09-25 Thermo Fisher Scientific (Bremen) GmbH Hybrid mass spectrometer
US12181452B2 (en) 2017-09-18 2024-12-31 Waters Technologies Corporation Use of vapor deposition coated flow paths for improved chromatography of metal interacting analytes
US11709156B2 (en) 2017-09-18 2023-07-25 Waters Technologies Corporation Use of vapor deposition coated flow paths for improved analytical analysis
US11709155B2 (en) 2017-09-18 2023-07-25 Waters Technologies Corporation Use of vapor deposition coated flow paths for improved chromatography of metal interacting analytes
US12180581B2 (en) 2017-09-18 2024-12-31 Waters Technologies Corporation Use of vapor deposition coated flow paths for improved chromatography of metal interacting analytes
WO2019142068A1 (en) * 2018-01-17 2019-07-25 Dh Technologies Development Pte. Ltd. Dm-swath acquisition to improve msms confidence
WO2020044161A1 (en) * 2018-08-31 2020-03-05 Dh Technologies Development Pte. Ltd. Identification and scoring of related compounds in complex samples
WO2020194095A1 (en) * 2019-03-22 2020-10-01 Dh Technologies Development Pte. Ltd. Agnostic compound elution determination
US12148604B2 (en) * 2019-04-22 2024-11-19 Amit, Inc. Method for generating data set for training a prediction model and apparatus comprising the prediciton model
WO2020240506A1 (en) * 2019-05-31 2020-12-03 Dh Technologies Development Pte. Ltd. Method for real time encoding of scanning swath data and probabilistic framework for precursor inference
EP3840014A1 (en) * 2019-12-17 2021-06-23 F. Hoffmann-La Roche AG Automated method for maintaining a clinical diagnostics system
US11918936B2 (en) 2020-01-17 2024-03-05 Waters Technologies Corporation Performance and dynamic range for oligonucleotide bioanalysis through reduction of non specific binding
CN116391122A (zh) 2020-09-24 2023-07-04 沃特世科技公司 用于反应性分子分离的色谱硬件改进

Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2011034981A (ja) * 2010-11-05 2011-02-17 Hitachi High-Technologies Corp 質量分析装置およびこれを用いる計測システム
JP2011242255A (ja) * 2010-05-18 2011-12-01 Shimadzu Corp クロマトグラフ質量分析用データ処理装置

Family Cites Families (14)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
DE4142869C1 (enExample) 1991-12-23 1993-05-19 Bruker - Franzen Analytik Gmbh, 2800 Bremen, De
JPH05258713A (ja) 1992-03-11 1993-10-08 Hitachi Ltd 質量分析計
JPH0817391A (ja) 1994-06-28 1996-01-19 Hitachi Ltd 質量スペクトル解析法
US6987261B2 (en) * 2003-01-24 2006-01-17 Thermo Finnigan Llc Controlling ion populations in a mass analyzer
US7473892B2 (en) * 2003-08-13 2009-01-06 Hitachi High-Technologies Corporation Mass spectrometer system
WO2005079263A2 (en) * 2004-02-13 2005-09-01 Waters Investments Limited Apparatus and method for identifying peaks in liquid chromatography/mass spectrometry data and for forming spectra and chromatograms
US7488935B2 (en) * 2005-06-24 2009-02-10 Agilent Technologies, Inc. Apparatus and method for processing of mass spectrometry data
US7417223B2 (en) 2005-10-28 2008-08-26 Mds Inc. Method, system and computer software product for specific identification of reaction pairs associated by specific neutral differences
US8271203B2 (en) * 2006-07-12 2012-09-18 Dh Technologies Development Pte. Ltd. Methods and systems for sequence-based design of multiple reaction monitoring transitions and experiments
US8304719B2 (en) * 2009-02-22 2012-11-06 Xin Wang Precise and thorough background subtraction
GB2471155B (en) * 2009-05-06 2016-04-20 Agilent Technologies Inc Data dependent acquisition system for mass spectrometery and methods of use
JP5454311B2 (ja) * 2010-04-02 2014-03-26 株式会社島津製作所 Ｍｓ／ｍｓ型質量分析装置
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
CN102081703A (zh) * 2011-01-12 2011-06-01 广西工学院 多变量体系中的纯信号分析方法

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2011242255A (ja) * 2010-05-18 2011-12-01 Shimadzu Corp クロマトグラフ質量分析用データ処理装置
JP2011034981A (ja) * 2010-11-05 2011-02-17 Hitachi High-Technologies Corp 質量分析装置およびこれを用いる計測システム

Non-Patent Citations (3)

* Cited by examiner, † Cited by third party
Title
HOPFGARTNER,G. 外２名: ""High-resolution mass spectrometry for integrated qualitative and quantitative analysis of pharmace", ANALYTICAL AND BIOANALYTICAL CHEMISTRY [ONLINE], vol. 402, JPN7016002454, 28 December 2011 (2011-12-28), pages 2587 - 2596, XP035021593, ISSN: 0003384825, DOI: 10.1007/s00216-011-5641-8 *
厚生労働省医薬局審査管理課 化学物質安全対策室, "室内空気汚染に係るガイドライン（案）に対する意見の募集結果について", JPN6017008091, 15 February 2002 (2002-02-15), ISSN: 0003515239 *
柴田猛 他: ""SWATH:１回の測定ですべてのタンパク質、ペプチドを同時に定量、定性可能なmethod"", 第59回質量分析総合討論会(2011)講演要旨集, JPN6016032303, 1 September 2011 (2011-09-01), pages 191, ISSN: 0003384826 *

Cited By (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2018504600A (ja) * 2015-02-05 2018-02-15 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 干渉検出および着目ピークのデコンボルーション
JP2018504601A (ja) * 2015-02-05 2018-02-15 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 曲線減算を介する類似性に基づく質量分析の検出

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KR102044211B1 (ko) 2019-11-13
CN104025249B (zh) 2016-12-07
US9343276B2 (en) 2016-05-17
US20140332681A1 (en) 2014-11-13
US9791424B2 (en) 2017-10-17
CA2862255A1 (en) 2013-07-04
CN104025249A (zh) 2014-09-03
EP2798664A4 (en) 2015-08-26
CN107066789B (zh) 2020-08-04
EP2798664B1 (en) 2020-10-28
KR20140119037A (ko) 2014-10-08
EP2798664A1 (en) 2014-11-05
JP2017044708A (ja) 2017-03-02
JP6494588B2 (ja) 2019-04-03
WO2013098618A1 (en) 2013-07-04
CN107066789A (zh) 2017-08-18
US20160231295A1 (en) 2016-08-11

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