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Analytical Chemistry, ISSN 0003-2700, 10/2011, Volume 83, Issue 19, p. 7412
Identification and quantification of analytes in complex solution-state mixtures are critical procedures in many areas of chemistry, biology, and molecular... 
Nuclear magnetic resonance--NMR | E coli | Metabolites | Correlation analysis | Cells
Journal Article
Analytical Chemistry, ISSN 0003-2700, 12/2016, Volume 88, Issue 24, p. 12411
  Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public... 
Nuclear magnetic resonance--NMR | Metabolites | Correlation analysis | Magnetic fields
Journal Article
Analytical Chemistry (Washington), ISSN 0003-2700, 12/2016, Volume 88, Issue 24, pp. 12411 - 12411
Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web... 
Spectroscopy | Databases | Metabolites | Strategy | World Wide Web | Spectra | Nuclear magnetic resonance | Servers (computers)
Journal Article
Analytical Chemistry (Washington), ISSN 0003-2700, 12/2016, Volume 88, Issue 24, pp. 12411 - 12411
Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web... 
Journal Article
Analytical Chemistry, ISSN 0003-2700, 06/2014, Volume 86, Issue 11, pp. 5494 - 5501
A customized metabolomics NMR database, termed 1H­(13C)-TOCCATA, is introduced, which contains complete 1H and 13C chemical shift information on individual... 
Databases, Chemical | Magnetic Resonance Spectroscopy - statistics & numerical data | Escherichia coli - metabolism | Carbon Isotopes | Complex Mixtures - chemistry | Escherichia coli - chemistry | Metabolomics - methods | Metabolomics | Usage | Nuclear magnetic resonance | Research | Metabolites
Journal Article
Analytical Chemistry, ISSN 0003-2700, 07/2013, Volume 85, Issue 13, pp. 6414 - 6420
An increasing number of organisms can be fully 13C-labeled, which has the advantage that their metabolomes can be studied by high-resolution two-dimensional... 
Carbon Isotopes | Complex Mixtures - analysis | Magnetic Resonance Spectroscopy - methods | Complex Mixtures - metabolism | Metabolomics - methods
Journal Article
Analytical Chemistry, ISSN 0003-2700, 12/2016, Volume 88, Issue 24, pp. 12411 - 12418
Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web... 
CHEMISTRY, ANALYTICAL | METABOLOMICS DATABASE | COHERENCE TRANSFER | BLOOD-PLASMA | NUCLEAR-MAGNETIC-RESONANCE | URINE | STANDARDS | SERUM | TOCSY | QUANTITATIVE-ANALYSIS | CORRELATION SPECTROSCOPY | Nuclear magnetic resonance spectroscopy | Serum | Usage | Chemistry, Analytic | Research
Journal Article
Magnetic Resonance in Chemistry, ISSN 0749-1581, 12/2016, Volume 54, Issue 12, pp. 998 - 1003
A hybrid 1D 1H NMR/ESI MS1 approach is introduced that allows accurate and unambiguous identification of catalogued, that is, known metabolites detected in 1D... 
Arabidopsis thaliana | tomato | metabolomics | metabolite identification | human urine | hybrid 1D 1H NMR/ESI MS1 | Metabolites | Infusion | Nuclear magnetic resonance--NMR | Software development tools
Journal Article
Analytical chemistry, ISSN 0003-2700, 12/2016, Volume 88, Issue 24, pp. 12411 - 12418
Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web... 
Journal Article
Analytical Chemistry, ISSN 0003-2700, 06/2014, Volume 86, Issue 11, p. 5494
  A customized metabolomics NMR database, termed 1H(13C)-TOCCATA, is introduced, which contains complete 1H and 13C chemical shift information on individual... 
Nuclear magnetic resonance--NMR | Metabolites | E coli | Chemical compounds
Journal Article
Analytical Chemistry (Washington), ISSN 0003-2700, 06/2014, Volume 86, Issue 11, pp. 5494 - 5494
A customized metabolomics NMR database, termed 1H(13C)-TOCCATA, is introduced, which contains complete 1H and 13C chemical shift information on individual spin... 
Databases | Metabolites | Accessibility | Customizing | Spectra | Nuclear magnetic resonance | Two dimensional | Cross sections
Journal Article
ACS Chemical Biology, ISSN 1554-8929, 02/2015, Volume 10, Issue 2, pp. 452 - 459
A new metabolomics database and query algorithm for the analysis of 13C–1H HSQC spectra is introduced, which unifies NMR spectroscopic information on 555... 
Journal Article
Analytical Chemistry, ISSN 0003-2700, 11/2012, Volume 84, Issue 21, pp. 9395 - 9401
Journal Article
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