| SpectraBase Spectrum ID |
6uxqRy9BNtS |
| Name |
Gestodene |
| CAS Registry Number |
60282-87-3 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
310.193280075 u |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20-,21-/m0/s1 |
| InChIKey |
SIGSPDASOTUPFS-AYSFWYFTSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
310.437 g/mol |
| Nominal Mass |
310 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
311.201 |
| SMILES |
O[C@@]1([C@@]2(C(C3C(CC2)C2C(CC3)=CC(=O)CC2)C=C1)CC)C#C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_385.8 |
