CN102667789A - 用于分析复杂混合物中小分子成分的设备和相关方法 - Google Patents

用于分析复杂混合物中小分子成分的设备和相关方法 Download PDF

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Publication number
CN102667789A
CN102667789A CN201080054995XA CN201080054995A CN102667789A CN 102667789 A CN102667789 A CN 102667789A CN 201080054995X A CN201080054995X A CN 201080054995XA CN 201080054995 A CN201080054995 A CN 201080054995A CN 102667789 A CN102667789 A CN 102667789A
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China
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dimensional data
peak
sample
intensity
selected ion
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Chinese (zh)
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H.戴
C.D.德哈文
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Metabolon Inc
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Metabolon Inc
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    • 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

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  • 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)
CN201080054995XA 2009-10-02 2010-10-01 用于分析复杂混合物中小分子成分的设备和相关方法 Pending CN102667789A (zh)

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 (1)

Publication Number Publication Date
CN102667789A true CN102667789A (zh) 2012-09-12

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ID=43416381

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Application Number Title Priority Date Filing Date
CN201080054995XA Pending CN102667789A (zh) 2009-10-02 2010-10-01 用于分析复杂混合物中小分子成分的设备和相关方法

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

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US4315149A (en) * 1980-05-23 1982-02-09 The Board Of Regents Of The University Of Nebraska Mass spectrometer
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JP2605081B2 (ja) * 1988-02-23 1997-04-30 株式会社島津製作所 組成比定量装置
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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
EP2486504B1 (en) 2020-05-13
JP5866287B2 (ja) 2016-02-17
JP2013506843A (ja) 2013-02-28
WO2011041656A2 (en) 2011-04-07
US9189595B2 (en) 2015-11-17
US20120239306A1 (en) 2012-09-20

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Application publication date: 20120912