| SpectraBase Spectrum ID |
DkeI2q0ZCC0 |
| Name |
Melatonin |
| CAS Registry Number |
73-31-4 |
| Classification |
Circadian rhythms hormone, Designer drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
232.121177761 u |
| Formula |
C13H16N2O2 |
| InChI |
InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) |
| InChIKey |
DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
232.283 g/mol |
| Nominal Mass |
232 u |
| Quality |
892 |
| Retention Index |
1927 |
| SMILES |
C=12C(NC=C2CCNC(=O)C)=CC=C(C1)OC |
| SPLASH |
splash10-00di-2900000000-474e820bad85624ee9df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Tryptamine,N-acetyl-5-methoxy
N-Acetyl-5-methoxytryptamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011489 |
