| SpectraBase Spectrum ID |
8Gx19GOYmw4 |
| Name |
Sumatriptan |
| CAS Registry Number |
103628-46-2 |
| Classification |
Serotonin agonist |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
295.135448100 u |
| Formula |
C14H21N3O2S |
| InChI |
InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 |
| InChIKey |
KQKPFRSPSRPDEB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
295.401 g/mol |
| Nominal Mass |
295 u |
| Quality |
914 |
| Retention Index |
2385 |
| SMILES |
C=12C(NC=C2CCN(C)C)=CC=C(C1)CS(NC)(=O)=O |
| SPLASH |
splash10-0a4i-9620000000-ed58f5bf1994e57b5cb0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003978 |
