| SpectraBase Spectrum ID |
HTLPcTSCKU9 |
| Name |
melatonin, 1TMS |
| Alternate Name(s) |
Melatonin, 1TMS
Melatonine, 1TMS
Circadin, 1TMS
Melovine, 1TMS
Melatol, 1TMS
Regulin, 1TMS
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, 1TMS
N-(2-(5-methoxy-1H-indol-3-yl)ethyl)acetamide |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 304.161); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000972; Note: The molecular formula of the structure shown is C13H16N2O2 - which differs from the formula reported for the mass spectrum (C16H24N2O2Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24N2O2Si |
| 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 |
| Molecular Weight |
232.283 g/mol |
| SMILES |
N(CCc1c[nH]c2ccc(cc12)OC)C(C)=O |
| SPLASH |
splash10-001j-0590000000-a0f7b4b9833dc1a1fb19 |
| Source of Spectrum |
FM-2019-972-0 |
| Wiley ID |
1818632 |
