| SpectraBase Spectrum ID |
2BjgAD5jBw |
| Name |
Pergolide TFA |
| Classification |
Antiparkinsonian |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
410.163969095 u |
| Formula |
C21H25F3N2OS |
| InChI |
InChI=1S/C21H25F3N2OS/c1-3-7-25-10-13(12-28-2)8-16-15-5-4-6-17-19(15)14(9-18(16)25)11-26(17)20(27)21(22,23)24/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3 |
| InChIKey |
TUJJEALLGVZSAJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
410.499 g/mol |
| SMILES |
CCCN1C2Cc3c[n](C(C(F)(F)F)=O)c4c3c(C2CC(CSC)C1)ccc4 |
| SPLASH |
splash10-0gx0-4958300000-be519c5a2b2d974db4d2 |
| 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_5854 |
