Serotonin (C10H12N2O)
BMRB entry bmse000757
Entry DOI: doi:10.13018/BMSE000757
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu
NMR-STAR file:
bmse000757.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000757.molAll files for
bmse000757Time Domain Data:
bmse000757.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | C4 | 111.168 | 1 |
| C9 | C5 | 129.828 | 1 |
| C3 | C6 | 25.361 | 1 |
| C10 | C7 | 134.357 | 1 |
| C6 | C8 | 128.078 | 1 |
| C4 | C9 | 42.348 | 1 |
| C5 | C10 | 105.219 | 1 |
| C2 | C11 | 115.621 | 1 |
| C8 | C12 | 151.514 | 1 |
| C1 | C13 | 114.577 | 1 |
| H16 | H14 | 3.106 | 1 |
| H17 | H15 | 3.106 | 1 |
| H21 | H16 | 7.285 | 1 |
| H18 | H18 | 3.305 | 1 |
| H19 | H19 | 3.305 | 1 |
| H20 | H20 | 7.108 | 1 |
| H15 | H21 | 7.420 | 1 |
| H14 | H22 | 6.884 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
