AU2013244967B2 - Method for substance identification from NMR spectrum - Google Patents

Method for substance identification from NMR spectrum Download PDF

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Publication number
AU2013244967B2
AU2013244967B2 AU2013244967A AU2013244967A AU2013244967B2 AU 2013244967 B2 AU2013244967 B2 AU 2013244967B2 AU 2013244967 A AU2013244967 A AU 2013244967A AU 2013244967 A AU2013244967 A AU 2013244967A AU 2013244967 B2 AU2013244967 B2 AU 2013244967B2
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Australia
Prior art keywords
values
nmr
spectrum
nmr spectrum
integral
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AU2013244967A
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AU2013244967A1 (en
Inventor
Fritz Huber
Renate Kirchhofer
Andreas Krumpel
Volker Pfahlert
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Numares AG
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Numares AG
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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01R—MEASURING ELECTRIC VARIABLES; MEASURING MAGNETIC VARIABLES
    • G01R33/00—Arrangements or instruments for measuring magnetic variables
    • G01R33/20—Arrangements or instruments for measuring magnetic variables involving magnetic resonance
    • G01R33/44—Arrangements or instruments for measuring magnetic variables involving magnetic resonance using nuclear magnetic resonance [NMR]
    • G01R33/46—NMR spectroscopy
    • G01R33/4625—Processing of acquired signals, e.g. elimination of phase errors, baseline fitting, chemometric analysis
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N24/00—Investigating or analyzing materials by the use of nuclear magnetic resonance, electron paramagnetic resonance or other spin effects
    • G01N24/08—Investigating or analyzing materials by the use of nuclear magnetic resonance, electron paramagnetic resonance or other spin effects by using nuclear magnetic resonance
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01R—MEASURING ELECTRIC VARIABLES; MEASURING MAGNETIC VARIABLES
    • G01R33/00—Arrangements or instruments for measuring magnetic variables
    • G01R33/20—Arrangements or instruments for measuring magnetic variables involving magnetic resonance
    • G01R33/44—Arrangements or instruments for measuring magnetic variables involving magnetic resonance using nuclear magnetic resonance [NMR]
    • G01R33/46—NMR spectroscopy

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  • Physics & Mathematics (AREA)
  • High Energy & Nuclear Physics (AREA)
  • General Physics & Mathematics (AREA)
  • Condensed Matter Physics & Semiconductors (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Signal Processing (AREA)
  • Engineering & Computer Science (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
AU2013244967A 2012-04-05 2013-04-04 Method for substance identification from NMR spectrum Active AU2013244967B2 (en)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US201261620700P 2012-04-05 2012-04-05
US61/620,700 2012-04-05
DE201210205686 DE102012205686B3 (de) 2012-04-05 2012-04-05 Verfahren zur Substanzidentifizierung und zugehöriges Computerprogrammprodukt
DE102012205686.6 2012-04-05
PCT/EP2013/057104 WO2013150098A1 (en) 2012-04-05 2013-04-04 Method for substance identification from nmr spectrum

Publications (2)

Publication Number Publication Date
AU2013244967A1 AU2013244967A1 (en) 2014-09-11
AU2013244967B2 true AU2013244967B2 (en) 2016-06-30

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ID=48783982

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2013244967A Active AU2013244967B2 (en) 2012-04-05 2013-04-04 Method for substance identification from NMR spectrum

Country Status (11)

Country Link
US (1) US9285444B2 (enExample)
EP (1) EP2834659B1 (enExample)
JP (1) JP5945365B2 (enExample)
AU (1) AU2013244967B2 (enExample)
CA (1) CA2865476C (enExample)
DE (1) DE102012205686B3 (enExample)
ES (1) ES2644285T3 (enExample)
HU (1) HUE035504T2 (enExample)
PL (1) PL2834659T3 (enExample)
SG (1) SG11201405232TA (enExample)
WO (1) WO2013150098A1 (enExample)

Families Citing this family (8)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
KR101686005B1 (ko) * 2015-02-02 2016-12-13 삼성전자주식회사 자기 공명 영상 장치 및 상기 자기 공명 영상 장치를 이용한 자기 공명 분광법
WO2016183647A1 (en) * 2015-05-18 2016-11-24 Universidade Estadual Paulista Júlio De Mesquita Filho - Unesp Method of analysis' pattern recognition and computer program
JP6574661B2 (ja) * 2015-09-29 2019-09-11 積水化学工業株式会社 コバルト錯体含有試料の評価方法、及び電解液の製造方法
KR101996666B1 (ko) 2016-05-02 2019-07-04 주식회사 엘지화학 정량 분석 방법
EP3258285B1 (en) * 2016-06-14 2020-10-21 Bruker BioSpin GmbH Method for predicting chemical shift values of nmr spin systems in a sample of a fluid class, in particular in a sample of a biofluid
US12461179B2 (en) * 2020-10-27 2025-11-04 2761134 Ontario Inc. Process and method for labelling products utilizing NMR analysis-created spectra intensities of a product translated to visible spectrum
CN113138206B (zh) * 2021-03-04 2022-04-19 宁波大学 一种鉴别氨基酸的方法
US12181455B2 (en) * 2021-07-28 2024-12-31 John Wiley & Sons, Inc. Adaptive search mass spectrometer spectral analysis

Family Cites Families (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPH0679060B2 (ja) * 1989-01-20 1994-10-05 鐘紡株式会社 混合物の組成分析におけるデータ処理方法
EP1705578A1 (en) * 2005-03-24 2006-09-27 F. Hoffmann-La Roche Ag Method for processing a set of spectra, particularly NMR spectra
US8143890B2 (en) * 2008-05-27 2012-03-27 Trustees Of Columbia University In The City Of New York Spectral resolution enhancement of magnetic resonance spectroscopic imaging
EP2161587A1 (en) * 2008-09-03 2010-03-10 Bruker BioSpin AG Method and system for automated analysis of NMR spectra
DE102010038014B4 (de) * 2010-10-06 2021-10-07 Numares Ag Verwendung spezifischer Substanzen als Marker zur Bestimmung des Risikos einer Nierenabstoßung

Non-Patent Citations (1)

* Cited by examiner, † Cited by third party
Title
TRUNG N VU ET AL, 'An integrated work flow for robust alignment and simplified quantitative analysis of NMR spectrometry data', BMC BIOIN FORMATICS, BIOMED CENTRAL, 20 October 2011 *

Also Published As

Publication number Publication date
SG11201405232TA (en) 2014-09-26
JP5945365B2 (ja) 2016-07-05
JP2015512520A (ja) 2015-04-27
US20150042328A1 (en) 2015-02-12
CA2865476A1 (en) 2013-10-10
EP2834659B1 (en) 2017-08-23
EP2834659A1 (en) 2015-02-11
WO2013150098A1 (en) 2013-10-10
US9285444B2 (en) 2016-03-15
HUE035504T2 (en) 2018-05-02
DE102012205686B3 (de) 2013-08-01
CA2865476C (en) 2019-02-19
ES2644285T3 (es) 2017-11-28
PL2834659T3 (pl) 2018-01-31
AU2013244967A1 (en) 2014-09-11

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