CN106233138B - 多痕迹量化 - Google Patents

多痕迹量化 Download PDF

Info

Publication number
CN106233138B
CN106233138B CN201580020937.8A CN201580020937A CN106233138B CN 106233138 B CN106233138 B CN 106233138B CN 201580020937 A CN201580020937 A CN 201580020937A CN 106233138 B CN106233138 B CN 106233138B
Authority
CN
China
Prior art keywords
peak
profile
relevant peaks
peak profile
profiles
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
CN201580020937.8A
Other languages
English (en)
Chinese (zh)
Other versions
CN106233138A (zh
Inventor
G·伊沃什夫
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
Publication of CN106233138A publication Critical patent/CN106233138A/zh
Application granted granted Critical
Publication of CN106233138B publication Critical patent/CN106233138B/zh
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Classifications

    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02Column chromatography
    • G01N30/86Signal analysis
    • G01N30/8624Detection of slopes or peaks; baseline correction
    • G01N30/8631Peaks
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02Column chromatography
    • G01N30/86Signal analysis
    • G01N30/8624Detection of slopes or peaks; baseline correction
    • G01N30/8631Peaks
    • G01N30/8634Peak quality criteria
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/96Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation using ion-exchange
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02Column chromatography
    • G01N30/62Detectors specially adapted therefor
    • G01N30/72Mass spectrometers
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02Column chromatography
    • G01N30/86Signal analysis
    • G01N30/8624Detection of slopes or peaks; baseline correction
    • G01N30/8631Peaks
    • G01N30/8637Peak shape
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/004Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn

Landscapes

  • Physics & Mathematics (AREA)
  • Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • General Physics & Mathematics (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Engineering & Computer Science (AREA)
  • Quality & Reliability (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
CN201580020937.8A 2014-04-28 2015-04-14 多痕迹量化 Active CN106233138B (zh)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
US201461985335P 2014-04-28 2014-04-28
US61/985,335 2014-04-28
PCT/IB2015/000477 WO2015166322A1 (en) 2014-04-28 2015-04-14 Multi-trace quantitation

Publications (2)

Publication Number Publication Date
CN106233138A CN106233138A (zh) 2016-12-14
CN106233138B true CN106233138B (zh) 2019-03-01

Family

ID=54358228

Family Applications (1)

Application Number Title Priority Date Filing Date
CN201580020937.8A Active CN106233138B (zh) 2014-04-28 2015-04-14 多痕迹量化

Country Status (6)

Country Link
US (1) US10732156B2 (cg-RX-API-DMAC7.html)
EP (1) EP3137891B1 (cg-RX-API-DMAC7.html)
JP (1) JP6929645B2 (cg-RX-API-DMAC7.html)
CN (1) CN106233138B (cg-RX-API-DMAC7.html)
CA (1) CA2947239A1 (cg-RX-API-DMAC7.html)
WO (1) WO2015166322A1 (cg-RX-API-DMAC7.html)

Families Citing this family (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP3983793A4 (en) * 2019-06-12 2023-07-05 DH Technologies Development Pte. Ltd. CORRECTION OF PEAK INTEGRATION WITHOUT PARAMETER ADJUSTMENT
CN115699247A (zh) * 2020-05-22 2023-02-03 Dh科技发展私人贸易有限公司 用于增加通量的方法
US20230366863A1 (en) * 2020-10-06 2023-11-16 Dh Technologies Development Pte. Ltd. Automated Modeling of LC Peak Shape
JP7605073B2 (ja) * 2021-09-27 2024-12-24 株式会社島津製作所 データ処理方法及びデータ処理システム
WO2026058168A1 (en) 2024-09-11 2026-03-19 Dh Technologies Development Pte. Ltd. Ms2-driven deconvolution of ms1 peaks that are co-eluting and isobaric, for improved accuracy and quantitation of compounds

Citations (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS6285850A (ja) * 1985-10-11 1987-04-20 Shimadzu Corp エネルギ−スペクトルの成分ピ−ク分離方法
US5938932A (en) * 1997-11-14 1999-08-17 Pharmacopeia, Inc. High-throughput method and apparatus for identifying, quantitating and determining the purity of chemical compounds in mixtures
US20050273276A1 (en) * 2004-06-03 2005-12-08 Michael Joseph Szelewski Rapid automatic target compound confirmation using deconvolution and spectral matching
CN1712955A (zh) * 2004-06-25 2005-12-28 中国科学院大连化学物理研究所 一种精确测定色谱峰形参数和重叠峰面积的方法
US20080319676A1 (en) * 2004-07-29 2008-12-25 Yasushi Ishihama Absolute Quantitation of Protein Contents Based on Exponentially Modified Protein Abundance Index by Mass Spectrometry
US20130238253A1 (en) * 2012-03-09 2013-09-12 Torion Technologies, Inc. Deconvolution and identification algorithms for use on spectroscopic data

Family Cites Families (22)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US4353242A (en) * 1980-12-16 1982-10-12 University Of Utah Research Foundation Multichannel detection and resolution of chromatographic peaks
US6748333B1 (en) * 1999-09-27 2004-06-08 Hitachi, Ltd. Method and apparatus for chromatographic data processing, and chromatograph
US7105806B2 (en) * 2003-11-26 2006-09-12 Applera Corporation Method and apparatus for de-convoluting a convoluted spectrum
GB2412487A (en) * 2004-03-26 2005-09-28 Thermo Finnigan Llc A method of improving a mass spectrum
US20060255258A1 (en) * 2005-04-11 2006-11-16 Yongdong Wang Chromatographic and mass spectral date analysis
JP4577266B2 (ja) * 2006-05-16 2010-11-10 株式会社島津製作所 クロマトグラフ質量分析装置
US7983852B2 (en) * 2008-10-21 2011-07-19 Thermo Finnigan Llc Methods of automated spectral peak detection and quantification without user input
GB0915474D0 (en) 2009-09-04 2009-10-07 Micromass Ltd Multiple reaction monitoring with a time-of-flight based mass spectrometer
CN102667789A (zh) * 2009-10-02 2012-09-12 梅塔博隆有限公司 用于分析复杂混合物中小分子成分的设备和相关方法
GB201002447D0 (en) * 2010-02-12 2010-03-31 Micromass Ltd Mass spectrometer
GB201002445D0 (en) 2010-02-12 2010-03-31 Micromass Ltd Improved differentiation and determination of ionic conformations by combining ion mobility and hydrogen deuterium exchange reactions
WO2011162228A1 (ja) * 2010-06-25 2011-12-29 Jx日鉱日石エネルギー株式会社 炭化水素油の水素化脱硫触媒及びその製造方法並びに炭化水素油の水素化精製方法
JP5370312B2 (ja) * 2010-08-23 2013-12-18 株式会社島津製作所 質量分析装置
CA2810143C (en) * 2010-09-08 2019-03-26 Dh Technologies Development Pte. Ltd. Systems and methods for using variable mass selection window widths in tandem mass spectrometry
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
JP5454462B2 (ja) * 2010-12-22 2014-03-26 株式会社島津製作所 クロマトグラフ質量分析装置
JP5454484B2 (ja) * 2011-01-31 2014-03-26 株式会社島津製作所 三連四重極型質量分析装置
JP5736235B2 (ja) 2011-05-23 2015-06-17 株式会社日立製作所 質量分析システム及びコンピュータプログラム
WO2013112677A2 (en) * 2012-01-24 2013-08-01 Thermo Finnigan Llc Multinotch isolation for ms3 mass analysis
WO2013188879A1 (en) * 2012-06-16 2013-12-19 Atherotech, Inc. Measurement of serum lipoproteins
US9429549B2 (en) * 2012-09-28 2016-08-30 Shimadzu Corporation Chromatograph mass spectrometer
US10488376B2 (en) * 2014-03-03 2019-11-26 Shimadzu Corporation Data processing system and program for chromatograph mass spectrometer

Patent Citations (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS6285850A (ja) * 1985-10-11 1987-04-20 Shimadzu Corp エネルギ−スペクトルの成分ピ−ク分離方法
US5938932A (en) * 1997-11-14 1999-08-17 Pharmacopeia, Inc. High-throughput method and apparatus for identifying, quantitating and determining the purity of chemical compounds in mixtures
US20050273276A1 (en) * 2004-06-03 2005-12-08 Michael Joseph Szelewski Rapid automatic target compound confirmation using deconvolution and spectral matching
CN1712955A (zh) * 2004-06-25 2005-12-28 中国科学院大连化学物理研究所 一种精确测定色谱峰形参数和重叠峰面积的方法
US20080319676A1 (en) * 2004-07-29 2008-12-25 Yasushi Ishihama Absolute Quantitation of Protein Contents Based on Exponentially Modified Protein Abundance Index by Mass Spectrometry
US20130238253A1 (en) * 2012-03-09 2013-09-12 Torion Technologies, Inc. Deconvolution and identification algorithms for use on spectroscopic data

Non-Patent Citations (2)

* Cited by examiner, † Cited by third party
Title
A Blind-Deconvolution Approach for Chromatographic and Spectroscopic Peak Restoration;S.Sarkar等;《IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT》;19980831;第47卷(第4期);第941~947页 *
Overlapping spectra resolution using non-negative matrix factorization;Hong-Tao Gao等;《Talanta》;20051231;第66卷;摘要 *

Also Published As

Publication number Publication date
US20170038351A1 (en) 2017-02-09
WO2015166322A1 (en) 2015-11-05
EP3137891B1 (en) 2024-01-17
CN106233138A (zh) 2016-12-14
EP3137891A4 (en) 2017-10-25
JP2017514140A (ja) 2017-06-01
JP6929645B2 (ja) 2021-09-01
US10732156B2 (en) 2020-08-04
EP3137891A1 (en) 2017-03-08
CA2947239A1 (en) 2015-11-05

Similar Documents

Publication Publication Date Title
CN106233138B (zh) 多痕迹量化
Evans et al. The chandra source catalog
Melin et al. Catalog extraction in SZ cluster surveys: a matched filter approach
US8428889B2 (en) Methods of automated spectral peak detection and quantification having learning mode
JP5375411B2 (ja) クロマトグラフ質量分析データ解析方法及び装置
US9087680B2 (en) Analysis device, analysis method, and storage medium
JP4973628B2 (ja) クロマトグラフ質量分析データ解析方法及び装置
CN104422684B (zh) 发射光谱中的背景校正
US9812306B2 (en) Shift correction for spectral analysis
CN108603867A (zh) 峰检测方法以及数据处理装置
Fu et al. Simple automatic strategy for background drift correction in chromatographic data analysis
US10928367B2 (en) Peak extraction method and program
WO2015169686A2 (en) A computer assisted method for quantification of total hydrocarbon concentrations and pollution type apportionment in soil samples by use of gc-fid chromatograms
EP3545296A1 (en) Systems, methods and devices for width-based analysis of peak traces
CN109643635A (zh) 用于在扫描swath数据中识别前体及产物离子对的系统及方法
JP2017129534A (ja) マススペクトル解析装置、マススペクトル解析方法、質量分析装置、およびプログラム
CN102590406A (zh) 基于气相色谱-质谱分析数据的三维信息对比分析方法
Yu et al. A chemometric-assisted method based on gas chromatography–mass spectrometry for metabolic profiling analysis
US20170338089A1 (en) Systems and Methods for Sample Comparison and Classification
CN114118173A (zh) 质谱谱图重叠峰分峰方法、装置和计算机设备
Scalco et al. The HST Large Programme on ω Centauri-VII. The white dwarf cooling sequence
WO2018066587A1 (en) System and method for accurately quantifying composition of a target sample
Sullivan et al. Clustering of the IR background light with Spitzer: contribution from resolved sources
US6765200B2 (en) Mass spectrometry and mass spetrometer using the same
Laursen et al. Enhanced monitoring of biopharmaceutical product purity using liquid chromatography–mass spectrometry

Legal Events

Date Code Title Description
C06 Publication
PB01 Publication
SE01 Entry into force of request for substantive examination
SE01 Entry into force of request for substantive examination
GR01 Patent grant
GR01 Patent grant