Spermine (C10H26N4)
BMRB entry bmse000117
Entry DOI: doi:10.13018/BMSE000117
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000117.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000117.molAll files for
bmse000117Time Domain Data:
bmse000117.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | C5 | 30.823 | 4 |
| C3 | C6 | 30.823 | 4 |
| C9 | C7 | 48.337 | 4 |
| C10 | C8 | 48.337 | 4 |
| C6 | C9 | 40.701 | 4 |
| C5 | C10 | 40.701 | 4 |
| C8 | C11 | 50.458 | 4 |
| C7 | C12 | 50.458 | 4 |
| C1 | C13 | 27.682 | 4 |
| C2 | C14 | 27.682 | 4 |
| H21 | H21 | 1.786 | 4 |
| H22 | H22 | 1.786 | 4 |
| H19 | H23 | 1.786 | 4 |
| H20 | H24 | 1.786 | 4 |
| H31 | H25 | 2.806 | 4 |
| H32 | H26 | 2.806 | 4 |
| H33 | H27 | 2.806 | 4 |
| H34 | H28 | 2.806 | 4 |
| H25 | H29 | 2.806 | 4 |
| H26 | H30 | 2.806 | 4 |
| H23 | H31 | 2.806 | 4 |
| H24 | H32 | 2.806 | 4 |
| H29 | H33 | 2.806 | 4 |
| H30 | H34 | 2.806 | 4 |
| H27 | H35 | 2.806 | 4 |
| H28 | H36 | 2.806 | 4 |
| H15 | H37 | 1.6 | 4 |
| H16 | H38 | 1.6 | 4 |
| H17 | H39 | 1.6 | 4 |
| H18 | H40 | 1.6 | 4 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000117/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.8
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000117/nmr/set01/spectra/1H_13C_HSQC.png)