Natural Isotopic formula weight:
133.14728
4-Hydroxyphenylacetonitrile
Source: sigma
Solvent: 100 % D2O
Buffer: 50 mM sodium phosphate
Cytocide: 500 µM sodium azide
Reference: 500 µM DSS
Concentration and pH are given with spectrum
Spectrometer: Bruker DMX - 500 MHz
Data Source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley.
Assigned Chemical Shifts
1D 1H
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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View Spectral peak list 2D [1H,1H]-TOCSY
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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1D 13C
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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View Spectral peak list 1D DEPT90
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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View Spectral peak list 1D DEPT135
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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View Spectral peak list 2D [1H,13C]-HSQC
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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View Spectral peak list 2D [1H,13C]-HMBC
Concentration: Saturated mM,
pH: 7.4,
temperature: 298 K
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