| SpectraBase Spectrum ID |
G9alX9LcOrB |
| Name |
Quinagolide |
| CAS Registry Number |
87056-78-8 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
395.224263106 u |
| Formula |
C20H33N3O3S |
| InChI |
InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3 |
| InChIKey |
GDFGTRDCCWFXTG-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
395.562 g/mol |
| Nominal Mass |
395 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
396.232 |
| SMILES |
N(S(=O)(=O)N(CC)CC)C1CN(C2C(CC=3C(O)=CC=CC3C2)C1)CCC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_830.4 |
