KR102044211B1 - 체류 시간 판정 또는 확인을 위한 윈도우가 있는 질량 분석 데이터의 사용 - Google Patents

체류 시간 판정 또는 확인을 위한 윈도우가 있는 질량 분석 데이터의 사용 Download PDF

Info

Publication number
KR102044211B1
KR102044211B1 KR1020147020189A KR20147020189A KR102044211B1 KR 102044211 B1 KR102044211 B1 KR 102044211B1 KR 1020147020189 A KR1020147020189 A KR 1020147020189A KR 20147020189 A KR20147020189 A KR 20147020189A KR 102044211 B1 KR102044211 B1 KR 102044211B1
Authority
KR
South Korea
Prior art keywords
mass
collection
stub
ions
time 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.)
Active
Application number
KR1020147020189A
Other languages
English (en)
Korean (ko)
Other versions
KR20140119037A (ko
Inventor
스티븐 에이. 테이트
존 알. 버튼
Original Assignee
디에이치 테크놀로지즈 디벨롭먼트 피티이. 리미티드
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 디에이치 테크놀로지즈 디벨롭먼트 피티이. 리미티드 filed Critical 디에이치 테크놀로지즈 디벨롭먼트 피티이. 리미티드
Publication of KR20140119037A publication Critical patent/KR20140119037A/ko
Application granted granted Critical
Publication of KR102044211B1 publication Critical patent/KR102044211B1/ko
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Images

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)
  • Spectroscopy & Molecular Physics (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Health & Medical Sciences (AREA)
  • Pathology (AREA)
  • Immunology (AREA)
  • General Physics & Mathematics (AREA)
  • General Health & Medical Sciences (AREA)
  • Biochemistry (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Quality & Reliability (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Electron Tubes For Measurement (AREA)
KR1020147020189A 2011-12-29 2012-12-15 체류 시간 판정 또는 확인을 위한 윈도우가 있는 질량 분석 데이터의 사용 Active KR102044211B1 (ko)

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 (2)

Publication Number Publication Date
KR20140119037A KR20140119037A (ko) 2014-10-08
KR102044211B1 true KR102044211B1 (ko) 2019-11-13

Family

ID=48696427

Family Applications (1)

Application Number Title Priority Date Filing Date
KR1020147020189A Active KR102044211B1 (ko) 2011-12-29 2012-12-15 체류 시간 판정 또는 확인을 위한 윈도우가 있는 질량 분석 데이터의 사용

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
CA2884929A1 (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
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
US9768009B2 (en) 2013-10-16 2017-09-19 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
CA2967769A1 (en) * 2014-11-13 2016-05-19 Dh Technologies Development Pte. Ltd. Determining the identity of modified compounds
JP6748085B2 (ja) * 2015-02-05 2020-08-26 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
EP3254300B1 (en) * 2015-02-05 2019-10-30 DH Technologies Development PTE. Ltd. Detecting mass spectrometry based similarity via curve subtraction
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
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
US11183376B2 (en) * 2016-11-23 2021-11-23 Atonarp Inc. System and method for determining set of mass to charge ratios for set of gases
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
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
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
US11408853B2 (en) * 2018-01-17 2022-08-09 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
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
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
US20050063864A1 (en) * 2003-08-13 2005-03-24 Akihiro Sano Mass spectrometer system
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
CN101685755B (zh) * 2003-01-24 2011-12-14 萨莫芬尼根有限责任公司 控制质量分析器中的离子数目
US7645984B2 (en) * 2004-02-13 2010-01-12 Waters Technologies Corporation 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
US20100286927A1 (en) * 2009-05-06 2010-11-11 Agilent Technologies, Inc. Data Dependent Acquisition System for Mass Spectrometry 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
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 (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20050063864A1 (en) * 2003-08-13 2005-03-24 Akihiro Sano Mass spectrometer system
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

Also Published As

Publication number Publication date
JP6494588B2 (ja) 2019-04-03
US20140332681A1 (en) 2014-11-13
CN107066789A (zh) 2017-08-18
CN104025249B (zh) 2016-12-07
EP2798664B1 (en) 2020-10-28
JP2015503746A (ja) 2015-02-02
EP2798664A1 (en) 2014-11-05
CN104025249A (zh) 2014-09-03
US9343276B2 (en) 2016-05-17
EP2798664A4 (en) 2015-08-26
JP2017044708A (ja) 2017-03-02
CN107066789B (zh) 2020-08-04
WO2013098618A1 (en) 2013-07-04
KR20140119037A (ko) 2014-10-08
CA2862255A1 (en) 2013-07-04
US20160231295A1 (en) 2016-08-11
US9791424B2 (en) 2017-10-17

Similar Documents

Publication Publication Date Title
KR102044211B1 (ko) 체류 시간 판정 또는 확인을 위한 윈도우가 있는 질량 분석 데이터의 사용
JP6158965B2 (ja) Ｓｒｍアッセイにおけるバックグラウンド干渉の決定のためのｔｏｆ−ｍｓｍｓデータの可変ｘｉｃ幅の使用
US9768000B2 (en) Systems and methods for acquiring data for mass spectrometry images
JP2014502725A (ja) 依存的質量分析走査をトリガするための方法
EP3218703B1 (en) Determining the identity of modified compounds
CN107209151B (zh) 干扰检测及所关注峰值解卷积
EP3254300B1 (en) Detecting mass spectrometry based similarity via curve subtraction
EP3844507A1 (en) Identification and scoring of related compounds in complex samples
EP3204740B1 (en) Improving information dependent analysis (ida) spectral output for database searches
CN121049365A (zh) 用于ms2定量同量异位标记化合物的方法

Legal Events

Date Code Title Description
PA0105 International application

St.27 status event code: A-0-1-A10-A15-nap-PA0105

PG1501 Laying open of application

St.27 status event code: A-1-1-Q10-Q12-nap-PG1501

P11-X000 Amendment of application requested

St.27 status event code: A-2-2-P10-P11-nap-X000

P13-X000 Application amended

St.27 status event code: A-2-2-P10-P13-nap-X000

R15-X000 Change to inventor requested

St.27 status event code: A-3-3-R10-R15-oth-X000

R16-X000 Change to inventor recorded

St.27 status event code: A-3-3-R10-R16-oth-X000

A201 Request for examination
P11-X000 Amendment of application requested

St.27 status event code: A-2-2-P10-P11-nap-X000

P13-X000 Application amended

St.27 status event code: A-2-2-P10-P13-nap-X000

PA0201 Request for examination

St.27 status event code: A-1-2-D10-D11-exm-PA0201

R17-X000 Change to representative recorded

St.27 status event code: A-3-3-R10-R17-oth-X000

D13-X000 Search requested

St.27 status event code: A-1-2-D10-D13-srh-X000

D14-X000 Search report completed

St.27 status event code: A-1-2-D10-D14-srh-X000

E902 Notification of reason for refusal
PE0902 Notice of grounds for rejection

St.27 status event code: A-1-2-D10-D21-exm-PE0902

E13-X000 Pre-grant limitation requested

St.27 status event code: A-2-3-E10-E13-lim-X000

P11-X000 Amendment of application requested

St.27 status event code: A-2-2-P10-P11-nap-X000

P13-X000 Application amended

St.27 status event code: A-2-2-P10-P13-nap-X000

E90F Notification of reason for final refusal
PE0902 Notice of grounds for rejection

St.27 status event code: A-1-2-D10-D21-exm-PE0902

E701 Decision to grant or registration of patent right
PE0701 Decision of registration

St.27 status event code: A-1-2-D10-D22-exm-PE0701

GRNT Written decision to grant
PR0701 Registration of establishment

St.27 status event code: A-2-4-F10-F11-exm-PR0701

PR1002 Payment of registration fee

St.27 status event code: A-2-2-U10-U12-oth-PR1002

Fee payment year number: 1

PG1601 Publication of registration

St.27 status event code: A-4-4-Q10-Q13-nap-PG1601

PR1001 Payment of annual fee

St.27 status event code: A-4-4-U10-U11-oth-PR1001

Fee payment year number: 4

PR1001 Payment of annual fee

St.27 status event code: A-4-4-U10-U11-oth-PR1001

Fee payment year number: 5

PR1001 Payment of annual fee

St.27 status event code: A-4-4-U10-U11-oth-PR1001

Fee payment year number: 6

PR1001 Payment of annual fee

St.27 status event code: A-4-4-U10-U11-oth-PR1001

Fee payment year number: 7