CN104025249B - 针对滞留时间确定或确认的视窗化质谱分析数据的使用 - Google Patents

针对滞留时间确定或确认的视窗化质谱分析数据的使用 Download PDF

Info

Publication number
CN104025249B
CN104025249B CN201280064280.1A CN201280064280A CN104025249B CN 104025249 B CN104025249 B CN 104025249B CN 201280064280 A CN201280064280 A CN 201280064280A CN 104025249 B CN104025249 B CN 104025249B
Authority
CN
China
Prior art keywords
mass
time intervals
peaks
spectra
fragment ions
Prior art date
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.)
Active
Application number
CN201280064280.1A
Other languages
English (en)
Chinese (zh)
Other versions
CN104025249A (zh
Inventor
斯蒂芬·A·泰特
约翰·R·伯顿
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
DH Technologies Development Pte Ltd
Original Assignee
DH Technologies Development Pte Ltd
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 by DH Technologies Development Pte Ltd filed Critical DH Technologies Development Pte Ltd
Priority to CN201611153278.8A priority Critical patent/CN107066789B/zh
Publication of CN104025249A publication Critical patent/CN104025249A/zh
Application granted granted Critical
Publication of CN104025249B publication Critical patent/CN104025249B/zh
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Classifications

    • 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

Landscapes

  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • Theoretical Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • General Health & Medical Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Biochemistry (AREA)
  • General Physics & Mathematics (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Quality & Reliability (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Electron Tubes For Measurement (AREA)
CN201280064280.1A 2011-12-29 2012-12-15 针对滞留时间确定或确认的视窗化质谱分析数据的使用 Active CN104025249B (zh)

Priority Applications (1)

Application Number Priority Date Filing Date Title
CN201611153278.8A CN107066789B (zh) 2011-12-29 2012-12-15 针对滞留时间确定或确认的视窗化质谱分析数据的使用

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
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

Related Child Applications (1)

Application Number Title Priority Date Filing Date
CN201611153278.8A Division CN107066789B (zh) 2011-12-29 2012-12-15 针对滞留时间确定或确认的视窗化质谱分析数据的使用

Publications (2)

Publication Number Publication Date
CN104025249A CN104025249A (zh) 2014-09-03
CN104025249B true CN104025249B (zh) 2016-12-07

Family

ID=48696427

Family Applications (2)

Application Number Title Priority Date Filing Date
CN201280064280.1A Active CN104025249B (zh) 2011-12-29 2012-12-15 针对滞留时间确定或确认的视窗化质谱分析数据的使用
CN201611153278.8A Active CN107066789B (zh) 2011-12-29 2012-12-15 针对滞留时间确定或确认的视窗化质谱分析数据的使用

Family Applications After (1)

Application Number Title Priority Date Filing Date
CN201611153278.8A Active CN107066789B (zh) 2011-12-29 2012-12-15 针对滞留时间确定或确认的视窗化质谱分析数据的使用

Country Status (7)

Country Link
US (2) US9343276B2 (enExample)
EP (1) EP2798664B1 (enExample)
JP (2) JP2015503746A (enExample)
KR (1) KR102044211B1 (enExample)
CN (2) CN104025249B (enExample)
CA (1) CA2862255A1 (enExample)
WO (1) WO2013098618A1 (enExample)

Families Citing this family (27)

* 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
CN104718449B (zh) * 2012-11-15 2017-06-06 Dh科技发展私人贸易有限公司 用于在不使用前体离子信息的情况下从ms/ms数据识别化合物的系统及方法
CN105637613B (zh) * 2013-10-16 2018-02-23 Dh科技发展私人贸易有限公司 使用任意传输加窗根据产物离子识别前驱体离子的系统及方法
CN105637612B (zh) * 2013-10-16 2018-10-23 Dh科技发展私人贸易有限公司 用于任意四极传输窗口化的系统及方法
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
EP3254126B1 (en) * 2015-02-05 2019-11-13 DH Technologies Development PTE. Ltd. Interference detection and peak of interest deconvolution
CA2976165A1 (en) * 2015-02-05 2016-08-11 Dh Technologies Development Pte. Ltd. Detecting mass spectrometry based similarity via curve subtraction
EP3268980A1 (en) * 2015-03-11 2018-01-17 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
US11378561B2 (en) 2016-08-10 2022-07-05 Dh Technologies Development Pte. Ltd. Automated spectral library retention time correction
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
US11474087B2 (en) * 2016-12-20 2022-10-18 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
EP3410463B1 (en) 2017-06-02 2021-07-28 Thermo Fisher Scientific (Bremen) GmbH Hybrid mass spectrometer
US11709156B2 (en) 2017-09-18 2023-07-25 Waters Technologies Corporation Use of vapor deposition coated flow paths for improved analytical analysis
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
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
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
JP7325421B2 (ja) * 2018-01-17 2023-08-14 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 Ｍｓｍｓ信頼度を改良するためのｄｍ－ｓｗａｔｈ取り込み
CN112534267A (zh) * 2018-08-31 2021-03-19 Dh科技发展私人贸易有限公司 复杂样本中相关化合物的识别和评分
CN113574629B (zh) * 2019-03-22 2024-09-24 Dh科技发展私人贸易有限公司 不可知化合物洗脱测定
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
US12080533B2 (en) 2019-05-31 2024-09-03 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
US12352734B2 (en) 2020-09-24 2025-07-08 Waters Technologies Corporation Chromatographic hardware improvements for separation of reactive molecules

Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20070278395A1 (en) * 2004-02-13 2007-12-06 Gorenstein Marc V Apparatus and Method For Identifying Peaks In Liquid Chromatography/Mass Spectrometry And For Forming Spectra And Chromatograms
US7473892B2 (en) * 2003-08-13 2009-01-06 Hitachi High-Technologies Corporation Mass spectrometer system
US20100213368A1 (en) * 2009-02-22 2010-08-26 Xin Wang Precise and thorough background subtraction

Family Cites Families (13)

* 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
EP1586104A2 (en) * 2003-01-24 2005-10-19 Thermo Finnigan LLC Controlling ion populations in a mass analyzer
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
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
JP5365579B2 (ja) * 2010-05-18 2013-12-11 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
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 (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7473892B2 (en) * 2003-08-13 2009-01-06 Hitachi High-Technologies Corporation Mass spectrometer system
US20070278395A1 (en) * 2004-02-13 2007-12-06 Gorenstein Marc V Apparatus and Method For Identifying Peaks In Liquid Chromatography/Mass Spectrometry And For Forming Spectra And Chromatograms
US20100213368A1 (en) * 2009-02-22 2010-08-26 Xin Wang Precise and thorough background subtraction

Non-Patent Citations (1)

* Cited by examiner, † Cited by third party
Title
《Gas chromatography coupled to high-resolution time-of-flight mass spectrometry to analyze trace-level organic compounds in the environment, food safety and toxicology》;Félix Hernández et al.;《Trends in Analytical Chemistry》;20110228;第30卷(第2期);摘要、第393页左栏第19-32行；第389页左栏第50行-右栏第29行、附图1；第391页右栏第24-40行、附图2、第393页右栏第28-32行；第391页右栏27-30行、第396页右栏第26行-第397页左栏第3行 *

Also Published As

Publication number Publication date
CN107066789B (zh) 2020-08-04
JP2015503746A (ja) 2015-02-02
US20140332681A1 (en) 2014-11-13
EP2798664A4 (en) 2015-08-26
CN107066789A (zh) 2017-08-18
CA2862255A1 (en) 2013-07-04
WO2013098618A1 (en) 2013-07-04
JP6494588B2 (ja) 2019-04-03
KR20140119037A (ko) 2014-10-08
JP2017044708A (ja) 2017-03-02
US9791424B2 (en) 2017-10-17
KR102044211B1 (ko) 2019-11-13
US9343276B2 (en) 2016-05-17
EP2798664A1 (en) 2014-11-05
US20160231295A1 (en) 2016-08-11
EP2798664B1 (en) 2020-10-28
CN104025249A (zh) 2014-09-03

Similar Documents

Publication Publication Date Title
CN104025249B (zh) 针对滞留时间确定或确认的视窗化质谱分析数据的使用
CN103109345B (zh) 产物离子光谱的数据独立获取及参考光谱库匹配
US20140138535A1 (en) Interpreting Multiplexed Tandem Mass Spectra Using Local Spectral Libraries
CN103563044B (zh) 使用tof‑msms数据的可变xic宽度确定srm分析中的背景干扰
JP5986105B2 (ja) 依存的質量分析走査をトリガするための方法
US9768000B2 (en) Systems and methods for acquiring data for mass spectrometry images
EP3218703B1 (en) Determining the identity of modified compounds
JP6738816B2 (ja) 曲線減算を介する類似性に基づく質量分析の検出
WO2020044161A1 (en) Identification and scoring of related compounds in complex samples
EP3204740B1 (en) Improving information dependent analysis (ida) spectral output for database searches
EP2936544B1 (en) Compound identification using multiple spectra at different collision energies

Legal Events

Date Code Title Description
C06 Publication
PB01 Publication
C10 Entry into substantive examination
SE01 Entry into force of request for substantive examination
C14 Grant of patent or utility model
GR01 Patent grant