| SpectraBase Spectrum ID |
ChI09ly7kT8 |
| Name |
Almotriptan HFB |
| Classification |
Antimigraine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
531.142659957 u |
| Formula |
C21H24N3O3SF7 |
| InChI |
InChI=1S/C21H24F7N3O3S/c1-29(2)10-7-15-12-31(18(32)19(22,23)20(24,25)21(26,27)28)17-6-5-14(11-16(15)17)13-35(33,34)30-8-3-4-9-30/h5-6,11-12H,3-4,7-10,13H2,1-2H3 |
| InChIKey |
KYVOKPFFPIOERQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
531.490 g/mol |
| SMILES |
CN(C)CCc1c2cc(ccc2[n](C(C(F)(F)C(F)(F)C(F)(F)F)=O)c1)CS(=O)(=O)N1CCCC1 |
| SPLASH |
splash10-0a4i-9000000000-a1c1f00db420c63311c7 |
| 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_8509 |
