| SpectraBase Spectrum ID |
G5Kbsapf7ga |
| Name |
Sumatriptan PFP |
| Classification |
Antimigraine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
441.114553502 u |
| Formula |
C17H20N3O3SF5 |
| InChI |
InChI=1S/C17H20F5N3O3S/c1-23-29(27,28)10-11-4-5-14-13(8-11)12(6-7-24(2)3)9-25(14)15(26)16(18,19)17(20,21)22/h4-5,8-9,23H,6-7,10H2,1-3H3 |
| InChIKey |
QDRKASKHSLVIFH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
441.417 g/mol |
| SMILES |
c1c(CS(=O)(=O)NC)cc2c(CCN(C)C)c[n](c2c1)C(C(F)(F)C(F)(F)F)=O |
| SPLASH |
splash10-0a4i-9300000000-551ff0a2e2b9abe4499f |
| 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_7699 |
