Entry DOI: doi:10.13018/BMSE000278
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000278.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000278.molAll files for
bmse000278Time Domain Data:
bmse000278.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 | C10 | 73.411 | 1 |
C4 | C11 | 84.628 | 1 |
C3 | C12 | 78.029 | 1 |
C2 | C13 | 67.33 | 1 |
C1 | C14 | 103.823 | 1 |
H20 | H20 | 4.301 | 1 |
H19 | H21 | 4.075 | 1 |
H18 | H22 | 4.051 | 1 |
H16 | H23 | 3.888 | 1 |
H17 | H24 | 3.888 | 1 |
H15 | H25 | 5.223 | 1 |
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