| SpectraBase Spectrum ID |
JKJ4pPKNHo8 |
| Name |
Sumatriptan 2TMS |
| Classification |
Antimigraine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
439.214501685 u |
| Formula |
C20H37N3O2SSi2 |
| InChI |
InChI=1S/C20H37N3O2SSi2/c1-21(2)13-12-18-15-23(28(7,8)9)20-11-10-17(14-19(18)20)16-26(24,25)22(3)27(4,5)6/h10-11,14-15H,12-13,16H2,1-9H3 |
| InChIKey |
NEWUXABEIGAUTL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
439.765 g/mol |
| SMILES |
c1cc2[n](cc(CCN(C)C)c2cc1CS(N(C)[Si](C)(C)C)(=O)=O)[Si](C)(C)C |
| SPLASH |
splash10-0a4i-9120000000-a8a8f3a633474ae6474e |
| 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_7701 |
