CA2862255A1 - Use of windowed mass spectrometry data for retention time determination or confirmation - Google Patents

Use of windowed mass spectrometry data for retention time determination or confirmation Download PDF

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Publication number
CA2862255A1
CA2862255A1 CA2862255A CA2862255A CA2862255A1 CA 2862255 A1 CA2862255 A1 CA 2862255A1 CA 2862255 A CA2862255 A CA 2862255A CA 2862255 A CA2862255 A CA 2862255A CA 2862255 A1 CA2862255 A1 CA 2862255A1
Authority
CA
Canada
Prior art keywords
mass
spectra
collection
peak
intervals
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.)
Abandoned
Application number
CA2862255A
Other languages
English (en)
French (fr)
Inventor
Stephen A. Tate
John R. Burton
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
Publication of CA2862255A1 publication Critical patent/CA2862255A1/en
Abandoned legal-status Critical Current

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)
  • Physics & Mathematics (AREA)
  • Life Sciences & Earth Sciences (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)
  • Pathology (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Immunology (AREA)
  • General Physics & Mathematics (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Quality & Reliability (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Electron Tubes For Measurement (AREA)
CA2862255A 2011-12-29 2012-12-15 Use of windowed mass spectrometry data for retention time determination or confirmation Abandoned CA2862255A1 (en)

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

Publications (1)

Publication Number Publication Date
CA2862255A1 true CA2862255A1 (en) 2013-07-04

Family

ID=48696427

Family Applications (1)

Application Number Title Priority Date Filing Date
CA2862255A Abandoned CA2862255A1 (en) 2011-12-29 2012-12-15 Use of windowed mass spectrometry data for retention time determination or confirmation

Country Status (7)

Country Link
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)

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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
WO2014076529A1 (en) * 2012-11-15 2014-05-22 Dh Technologies Development Pte. Ltd. Systems and methods for identifying compounds from ms/ms data without precursor ion information
CA2925853A1 (en) * 2013-10-16 2015-04-23 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
US10041907B2 (en) * 2014-09-26 2018-08-07 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
JP6738816B2 (ja) * 2015-02-05 2020-08-12 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
WO2016125059A1 (en) * 2015-02-05 2016-08-11 Dh Technologies Development Pte. Ltd. Interference detection and peak of interest deconvolution
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
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
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
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
US11408853B2 (en) * 2018-01-17 2022-08-09 Dh Technologies Development Pte. Ltd. DM-SWATH acquisition to improve MSMS confidence
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
US11953478B2 (en) * 2019-03-22 2024-04-09 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
EP3977628A4 (en) * 2019-05-31 2023-06-28 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
JP2023526436A (ja) * 2020-05-22 2023-06-21 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 一連の順次サンプルにおける第１のサンプルの識別
US12300478B2 (en) * 2020-05-22 2025-05-13 Dh Technologies Development Pte. Ltd. Simplification of method or system using scout MRM
EP4628889A3 (en) 2020-09-24 2025-12-10 Waters Technologies Corporation Chromatographic hardware improvements for the separation of reactive molecules

Family Cites Families (16)

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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
JP5322385B2 (ja) * 2003-01-24 2013-10-23 サーモ フィニガン リミテッド ライアビリティ カンパニー 質量分析器におけるイオン集団の制御
US7473892B2 (en) * 2003-08-13 2009-01-06 Hitachi High-Technologies Corporation Mass spectrometer system
JP5068541B2 (ja) * 2004-02-13 2012-11-07 ウオーターズ・テクノロジーズ・コーポレイシヨン 液体クロマトグラフィ／質量分析データ中のピークを同定し、スペクトルおよびクロマトグラムを形成するための装置および方法
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
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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
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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

Also Published As

Publication number Publication date
WO2013098618A1 (en) 2013-07-04
CN107066789B (zh) 2020-08-04
EP2798664A4 (en) 2015-08-26
EP2798664A1 (en) 2014-11-05
US9791424B2 (en) 2017-10-17
JP2017044708A (ja) 2017-03-02
CN104025249A (zh) 2014-09-03
US9343276B2 (en) 2016-05-17
US20140332681A1 (en) 2014-11-13
JP2015503746A (ja) 2015-02-02
CN107066789A (zh) 2017-08-18
JP6494588B2 (ja) 2019-04-03
KR20140119037A (ko) 2014-10-08
EP2798664B1 (en) 2020-10-28
KR102044211B1 (ko) 2019-11-13
US20160231295A1 (en) 2016-08-11
CN104025249B (zh) 2016-12-07

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Legal Events

Date Code Title Description
EEER Examination request

Effective date: 20171206

FZDE Discontinued

Effective date: 20210104