JP5866287B2 - 複雑な混合物における小分子成分分析のための装置及び関連する方法 - Google Patents

複雑な混合物における小分子成分分析のための装置及び関連する方法 Download PDF

Info

Publication number
JP5866287B2
JP5866287B2 JP2012532349A JP2012532349A JP5866287B2 JP 5866287 B2 JP5866287 B2 JP 5866287B2 JP 2012532349 A JP2012532349 A JP 2012532349A JP 2012532349 A JP2012532349 A JP 2012532349A JP 5866287 B2 JP5866287 B2 JP 5866287B2
Authority
JP
Japan
Prior art keywords
intensity
dimensional data
peak
data set
sample
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
JP2012532349A
Other languages
English (en)
Japanese (ja)
Other versions
JP2013506843A5 (https=
JP2013506843A (ja
Inventor
ダイ，ホンピン
デヴン，コレイ，ドナルド
Original Assignee
メタボロン，インコーポレイテッド
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 メタボロン，インコーポレイテッド filed Critical メタボロン，インコーポレイテッド
Publication of JP2013506843A publication Critical patent/JP2013506843A/ja
Publication of JP2013506843A5 publication Critical patent/JP2013506843A5/ja
Application granted granted Critical
Publication of JP5866287B2 publication Critical patent/JP5866287B2/ja
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Images

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B40/00—ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B40/00—ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G16B40/10—Signal processing, e.g. from mass spectrometry [MS] or from PCR
    • 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
    • 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
    • G16C20/70—Machine learning, data mining or chemometrics
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G06F2218/08—Feature extraction
    • 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
    • H01J49/02—Details
    • 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

  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Medical Informatics (AREA)
  • Theoretical Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • General Health & Medical Sciences (AREA)
  • Evolutionary Computation (AREA)
  • Databases & Information Systems (AREA)
  • Artificial Intelligence (AREA)
  • Software Systems (AREA)
  • Data Mining & Analysis (AREA)
  • Evolutionary Biology (AREA)
  • Biotechnology (AREA)
  • Epidemiology (AREA)
  • Biophysics (AREA)
  • Bioethics (AREA)
  • Public Health (AREA)
  • Chemical & Material Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Computing Systems (AREA)
  • Molecular Biology (AREA)
  • Signal Processing (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
JP2012532349A 2009-10-02 2010-10-01 複雑な混合物における小分子成分分析のための装置及び関連する方法 Active JP5866287B2 (ja)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US24804009P 2009-10-02 2009-10-02
US61/248,040 2009-10-02
US34728710P 2010-05-21 2010-05-21
US61/347,287 2010-05-21
PCT/US2010/051091 WO2011041656A2 (en) 2009-10-02 2010-10-01 Apparatus and associated method for analyzing small molecule components in a complex mixture

Publications (3)

Publication Number Publication Date
JP2013506843A JP2013506843A (ja) 2013-02-28
JP2013506843A5 JP2013506843A5 (https=) 2015-07-30
JP5866287B2 true JP5866287B2 (ja) 2016-02-17

Family

ID=43416381

Family Applications (1)

Application Number Title Priority Date Filing Date
JP2012532349A Active JP5866287B2 (ja) 2009-10-02 2010-10-01 複雑な混合物における小分子成分分析のための装置及び関連する方法

Country Status (5)

Country Link
US (1) US9189595B2 (https=)
EP (1) EP2486504B1 (https=)
JP (1) JP5866287B2 (https=)
CN (1) CN102667789A (https=)
WO (1) WO2011041656A2 (https=)

Families Citing this family (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP3137891B1 (en) * 2014-04-28 2024-01-17 DH Technologies Development Pte. Ltd. Multi-trace quantitation
JP6538083B2 (ja) * 2014-05-30 2019-07-03 メタボロン，インコーポレイテッド 複数のサンプル処理における複雑な混合物の小分子成分を分析するための方法、並びに関連する装置及びコンピュータプログラム製品
ES2982037T3 (es) 2017-12-15 2024-10-14 Metabolon Inc Método para analizar componentes de moléculas pequeñas de una mezcla compleja, y aparato asociado y producto de programa informático

Family Cites Families (29)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS5162791A (ja) * 1974-10-28 1976-05-31 Takeda Riken Ind Co Ltd Hakeimensekisekisansochi
US4315149A (en) * 1980-05-23 1982-02-09 The Board Of Regents Of The University Of Nebraska Mass spectrometer
US4353242A (en) * 1980-12-16 1982-10-12 University Of Utah Research Foundation Multichannel detection and resolution of chromatographic peaks
JP2605081B2 (ja) * 1988-02-23 1997-04-30 株式会社島津製作所 組成比定量装置
JPH0210264A (ja) * 1988-06-29 1990-01-16 Shimadzu Corp クロマトグラフ用データ処理装置
US5300771A (en) * 1992-06-02 1994-04-05 Analytica Of Branford Method for determining the molecular weights of polyatomic molecules by mass analysis of their multiply charged ions
JP2904061B2 (ja) * 1995-06-07 1999-06-14 株式会社島津製作所 液体クロマトグラフ質量分析装置
US20030017483A1 (en) * 1998-05-12 2003-01-23 Ecker David J. Modulation of molecular interaction sites on RNA and other biomolecules
US6969763B1 (en) * 1999-05-12 2005-11-29 Isis Pharmaceuticals, Inc. Molecular interaction sites of interleukin-2 RNA and methods of modulating the same
US20020009740A1 (en) 2000-04-14 2002-01-24 Rima Kaddurah-Daouk Methods for drug discovery, disease treatment, and diagnosis using metabolomics
US7329489B2 (en) 2000-04-14 2008-02-12 Matabolon, Inc. Methods for drug discovery, disease treatment, and diagnosis using metabolomics
WO2002021099A2 (en) * 2000-09-08 2002-03-14 Waters Investments Limited Method and apparatus for determining the boundaries of a detector response profile and for controlling processes
US20020086434A1 (en) * 2000-12-14 2002-07-04 Roussis Stilianos G. Direct determination of acid distributions crudes and crude fractions
US6787760B2 (en) * 2001-10-12 2004-09-07 Battelle Memorial Institute Method for increasing the dynamic range of mass spectrometers
GB2405972B (en) * 2002-05-31 2007-08-15 Waters Investments Ltd A method of using data binning in the analysis of chromatograhpy/spectrometry data
US7510880B2 (en) * 2002-06-26 2009-03-31 Gross Richard W Multidimensional mass spectrometry of serum and cellular lipids directly from biologic extracts
US7170052B2 (en) * 2003-12-31 2007-01-30 Ionwerks, Inc. MALDI-IM-ortho-TOF mass spectrometry with simultaneous positive and negative mode detection
CA2585453C (en) * 2004-10-28 2020-02-18 Cerno Bioscience Llc Qualitative and quantitative mass spectral analysis
WO2007019485A1 (en) 2005-08-08 2007-02-15 Metabolon Inc. A system, method, and computer program product using a database in a computing system to compile and compare metabolomic data obtained from a plurality of samples
US7949475B2 (en) 2005-08-08 2011-05-24 Metabolon Inc. System and method for analyzing metabolomic data
US20070265216A1 (en) * 2005-10-05 2007-11-15 Gross Richard W Enhanced medical treatment in diabetic cardiomyopathy
CA2646890C (en) 2006-03-21 2012-07-31 Metabolon, Inc. A system, method, and computer program product for analyzing spectrometry data to indentify and quantify individual components in a sample
EP2024064B1 (en) * 2006-05-26 2014-11-19 Waters Technologies Corporation Ion detection and parameter estimation for liquid chromatography - ion mobility spectrometry - mass spectrometry data
JP5068498B2 (ja) * 2006-08-31 2012-11-07 株式会社日立ハイテクノロジーズ クロマトグラフ分析装置
JP5170650B2 (ja) * 2008-02-29 2013-03-27 株式会社リガク ガス定量分析方法及びガス定量分析装置
JP5166932B2 (ja) * 2008-03-21 2013-03-21 日本電子株式会社 クロマトグラフ質量分析装置
CA2724422A1 (en) * 2008-05-28 2009-12-23 Basf Se Means and methods for assessing increased peroxisomal proliferation
CN102074448B (zh) * 2009-11-20 2014-09-24 同方威视技术股份有限公司 离子迁移谱仪以及提高其检测灵敏度的方法
WO2011155984A1 (en) * 2010-06-11 2011-12-15 Waters Technologies Corporation Techniques for mass spectrometry peak list computation using parallel processing

Also Published As

Publication number Publication date
EP2486504A2 (en) 2012-08-15
CN102667789A (zh) 2012-09-12
EP2486504B1 (en) 2020-05-13
JP2013506843A (ja) 2013-02-28
WO2011041656A2 (en) 2011-04-07
US9189595B2 (en) 2015-11-17
US20120239306A1 (en) 2012-09-20

Similar Documents

Publication Publication Date Title
US7949475B2 (en) System and method for analyzing metabolomic data
Wei et al. Tissue spray ionization mass spectrometry for rapid recognition of human lung squamous cell carcinoma
EP1664767B1 (en) Method for determining the impact of a multicomponent natural product mixture on the biological profile of a disease within a group of living systems and the development and quality control of natural product based medicine
May et al. Targeting the untargeted in molecular phenomics with structurally-selective ion mobility-mass spectrometry
US7433787B2 (en) System, method, and computer program product using a database in a computing system to compile and compare metabolomic data obtained from a plurality of samples
JP5866287B2 (ja) 複雑な混合物における小分子成分分析のための装置及び関連する方法
US11387087B2 (en) Method for analyzing small molecule components of a complex mixture, and associated apparatus and computer program product
JP6538083B2 (ja) 複数のサンプル処理における複雑な混合物の小分子成分を分析するための方法、並びに関連する装置及びコンピュータプログラム製品
JP2013506843A5 (https=)
CN113804745A (zh) 成像质量分析方法以及成像质量分析装置
Jansirani et al. Standardizing sample preparation: ensuring integrity in urinary omics
CN109580526A (zh) 一种基于组织切片鉴别人体性别的红外光谱分析方法
Zhao et al. Window function-assisted MALDI-TOF MS data preprocessing combined with variables intersection and machine learning for classification analysis
Gowda et al. Metabolomics
JP2016176811A (ja) 分析データ解析装置
AT527861A1 (de) Bestimmung eines krebsrisiko-scores
JP2021128115A (ja) 新規検査開発サーバ及び新規検査開発方法
Klawonn MS-specific noise model reveals the potential of iTRAQ in quantitative proteomics
Straub Enhanced LC-MS/MS proteomic difference testing via integration of peptide ion intensities with spectral counts

Legal Events

Date Code Title Description
A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20130218

A621 Written request for application examination

Free format text: JAPANESE INTERMEDIATE CODE: A621

Effective date: 20130218

A977 Report on retrieval

Free format text: JAPANESE INTERMEDIATE CODE: A971007

Effective date: 20140131

A131 Notification of reasons for refusal

Free format text: JAPANESE INTERMEDIATE CODE: A131

Effective date: 20140304

A601 Written request for extension of time

Free format text: JAPANESE INTERMEDIATE CODE: A601

Effective date: 20140603

A602 Written permission of extension of time

Free format text: JAPANESE INTERMEDIATE CODE: A602

Effective date: 20140610

A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20140703

A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20140806

A131 Notification of reasons for refusal

Free format text: JAPANESE INTERMEDIATE CODE: A131

Effective date: 20141222

A601 Written request for extension of time

Free format text: JAPANESE INTERMEDIATE CODE: A601

Effective date: 20150319

A524 Written submission of copy of amendment under article 19 pct

Free format text: JAPANESE INTERMEDIATE CODE: A524

Effective date: 20150611

A131 Notification of reasons for refusal

Free format text: JAPANESE INTERMEDIATE CODE: A131

Effective date: 20150908

A521 Request for written amendment filed

Free format text: JAPANESE INTERMEDIATE CODE: A523

Effective date: 20151112

TRDD Decision of grant or rejection written
A01 Written decision to grant a patent or to grant a registration (utility model)

Free format text: JAPANESE INTERMEDIATE CODE: A01

Effective date: 20151208

A61 First payment of annual fees (during grant procedure)

Free format text: JAPANESE INTERMEDIATE CODE: A61

Effective date: 20160104

R150 Certificate of patent or registration of utility model

Ref document number: 5866287

Country of ref document: JP

Free format text: JAPANESE INTERMEDIATE CODE: R150

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250

R250 Receipt of annual fees

Free format text: JAPANESE INTERMEDIATE CODE: R250