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MetaboQuant: a tool combining individual peak calibration and outlier detection for accurate metabolite quantification in 1D (1)H and (1)H-(13)C HSQC NMR spectra

Klein, Matthias S., Oefner, Peter J. and Gronwald, Wolfram (2013) MetaboQuant: a tool combining individual peak calibration and outlier detection for accurate metabolite quantification in 1D (1)H and (1)H-(13)C HSQC NMR spectra. BioTechniques 54 (5), pp. 251-256.

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Other URL: http://www.biotechniques.com/multimedia/archive/00191/BTN_A_000114026_O_191070a.pdf


Abstract

Solution nuclear magnetic resonance (NMR) spectroscopy is widely used to analyze complex mixtures of organic compounds such as biological fluids and tissue extracts. Targeted profiling approaches with reliable compound quantitifcation are hampered, however, by signal overlap and other interferences. Here, we present a tool named MetaboQuant for automated compound quantification from pre-processed ...

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Item type:Article
Date:May 2013
Institutions:Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner)
Identification Number:
ValueType
23662895UNSPECIFIED
Classification:
NotationType
CalibrationMESH
Carbon Isotopes/analysisMESH
InternetMESH
Metabolomics/methodsMESH
Nuclear Magnetic Resonance, Biomolecular/methodsMESH
Regression AnalysisMESH
SoftwareMESH
User-Computer InterfaceMESH
Keywords:NMR; metabolites; quantification; computer program
Dewey Decimal Classification:500 Science > 500 Natural sciences & mathematics
500 Science > 570 Life sciences
600 Technology > 610 Medical sciences Medicine
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:30516
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