| SpectraBase Spectrum ID |
LIpuGxsDQ |
| Name |
Sumatriptan HFB |
| Classification |
Antimigraine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
491.111359828 u |
| Formula |
C18H20N3O3SF7 |
| InChI |
InChI=1S/C18H20F7N3O3S/c1-26-32(30,31)10-11-4-5-14-13(8-11)12(6-7-27(2)3)9-28(14)15(29)16(19,20)17(21,22)18(23,24)25/h4-5,8-9,26H,6-7,10H2,1-3H3 |
| InChIKey |
GLRXZIIZHBKRPI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
491.425 g/mol |
| SMILES |
c1cc2[n](cc(CCN(C)C)c2cc1CS(NC)(=O)=O)C(C(F)(F)C(F)(F)C(F)(F)F)=O |
| SPLASH |
splash10-0a4i-9400000000-8d2ce0e21ef4caf0f7e5 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_7700 |
