Entry DOI: doi:10.13018/BMSE000213
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000213.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000213.molAll files for
bmse000213Time Domain Data:
bmse000213.zipSample and instrument details are given with the spectrum
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C5 | C1 | 99.471 | 6 |
C4 | C2 | 74.544 | 6 |
C3 | C3 | 75.156 | 6 |
C2 | C4 | 71.192 | 6 |
C1 | C5 | 69.093 | 6 |
H16 | H11 | 5.226 | 6 |
H15 | H12 | 3.504 | 6 |
H14 | H13 | 3.655 | 6 |
H13 | H14 | 3.935 | 6 |
H11 | H15 | 3.827 | 6 |
H12 | H16 | 3.775 | 6 |
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz