| SpectraBase Spectrum ID |
DkJOeUaZIga |
| Name |
Pergolide |
| CAS Registry Number |
66104-22-1 |
| Classification |
Dopamine agonist |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.181670019 u |
| Formula |
C19H26N2S |
| InChI |
InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 |
| InChIKey |
YEHCICAEULNIGD-MZMPZRCHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.491 g/mol |
| Nominal Mass |
314 u |
| Quality |
988 |
| Retention Index |
2599 |
| SMILES |
[C@@]12([C@](N(C[C@@](C2)(CSC)[H])CCC)(CC=2C=3C1=CC=CC3NC2)[H])[H] |
| SPLASH |
splash10-03di-2945000000-edea78460c4dcf72734f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8beta-(Methylthiomethyl)-6-propylergoline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010598 |
