| SpectraBase Spectrum ID |
8Gyf0Zv07oO |
| Name |
Metergoline |
| Classification |
Dopamine agonist |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
403.225977184 u |
| Formula |
C25H29N3O2 |
| InChI |
InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 |
| InChIKey |
WZHJKEUHNJHDLS-QTGUNEKASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
403.526 g/mol |
| Nominal Mass |
403 u |
| Quality |
997 |
| Retention Index |
2701 |
| SMILES |
[C@@]12([C@](N(C[C@@](C2)(CNC(OCC=2C=CC=CC2)=O)[H])C)(CC=2C3=C1C=CC=C3N(C2)C)[H])[H] |
| SPLASH |
splash10-0002-2970000000-aac38b72814c2ba8a344 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzyl[(6aR,9S,10aR)-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo-[4,3-fg]quinolin-9-yl]-\rmethylcarbamate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010421 |
