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
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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)
  • Life Sciences & Earth Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Biochemistry (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (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)
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
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
JP6581976B2 (ja) * 2013-10-16 2019-09-25 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 恣意的四重極伝送窓生成のためのシステムおよび方法
EP3198627B1 (en) * 2014-09-26 2025-10-29 Micromass UK Limited Accurate mobility chromatograms
EP3218703B1 (en) * 2014-11-13 2019-06-26 DH Technologies Development PTE. Ltd. Determining the identity of modified compounds
EP3254300B1 (en) * 2015-02-05 2019-10-30 DH Technologies Development PTE. Ltd. Detecting mass spectrometry based similarity via curve subtraction
WO2016125059A1 (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
US10573501B2 (en) * 2015-05-29 2020-02-25 Waters Technologies Corporation Techniques for processing of mass spectral data
US11378561B2 (en) 2016-08-10 2022-07-05 Dh Technologies Development Pte. Ltd. Automated spectral library retention time correction
CN109997036B (zh) * 2016-11-23 2022-04-22 Atonarp株式会社 用于确定气体集的质荷比集的系统和方法
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
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
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
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
US11709156B2 (en) 2017-09-18 2023-07-25 Waters Technologies Corporation Use of vapor deposition coated flow paths for improved analytical analysis
WO2019142068A1 (en) * 2018-01-17 2019-07-25 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
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
JP2022534468A (ja) 2019-05-31 2022-08-01 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 走査型ｓｗａｔｈデータのリアルタイムエンコーディングおよび前駆体推測のための確率的フレームワークのための方法
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
WO2021234644A1 (en) * 2020-05-22 2021-11-25 Dh Technologies Development Pte. Ltd. Identification of a first sample in a series of sequential samples
CN115668439A (zh) * 2020-05-22 2023-01-31 Dh科技发展私人贸易有限公司 对使用侦察mrm的方法或系统的简化
CN116075727A (zh) * 2020-08-12 2023-05-05 Dh科技发展私人贸易有限公司 多个电荷状态的有效使用
WO2022064447A1 (en) 2020-09-24 2022-03-31 Waters Technologies Corporation Chromatographic hardware improvements for the separation of reactive molecules

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Also Published As

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

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Legal Events

Date Code Title Description
EEER Examination request

Effective date: 20171206

FZDE Discontinued

Effective date: 20210104