CN107066789B - 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

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CN107066789B
CN107066789B CN201611153278.8A CN201611153278A CN107066789B CN 107066789 B CN107066789 B CN 107066789B CN 201611153278 A CN201611153278 A CN 201611153278A CN 107066789 B CN107066789 B CN 107066789B
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xic
fragment ions
spectra
time intervals
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CN107066789A (zh
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斯蒂芬·A·泰特
约翰·R·伯顿
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DH Technologies Development Pte Ltd
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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
    • 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
    • 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
    • H01J49/004—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)
  • Physics & Mathematics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Spectroscopy & Molecular Physics (AREA)
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  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
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CN201611153278.8A 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 CN107066789B (zh)

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US201161581423P 2011-12-29 2011-12-29
US61/581,423 2011-12-29
CN201280064280.1A 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

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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

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CA2976165A1 (en) * 2015-02-05 2016-08-11 Dh Technologies Development Pte. Ltd. Detecting mass spectrometry based similarity via curve subtraction
CA2975812A1 (en) * 2015-02-05 2016-08-11 Dh Technologies Development Pte. Ltd. Interference detection and peak of interest deconvolution
US20180108521A1 (en) * 2015-03-11 2018-04-19 DH Technologies Development Pte Ltd. Method of Increasing Quality of Tandem Mass Spectra
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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
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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

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KR102044211B1 (ko) 2019-11-13
CN104025249B (zh) 2016-12-07
US9343276B2 (en) 2016-05-17
US20140332681A1 (en) 2014-11-13
JP2015503746A (ja) 2015-02-02
US9791424B2 (en) 2017-10-17
CA2862255A1 (en) 2013-07-04
CN104025249A (zh) 2014-09-03
EP2798664A4 (en) 2015-08-26
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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