| SpectraBase Spectrum ID |
KTnILBU7QTI |
| Name |
Exemestane |
| CAS Registry Number |
107868-30-4 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14?,15?,16?,19-,20+/m1/s1 |
| InChIKey |
BFYIZQONLCFLEV-VQIOPMHJSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
296.410 g/mol |
| Nominal Mass |
296 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
297.185 |
| SMILES |
C1(=O)[C@@]2(C(C3C(CC2)[C@@]2(C(C(C3)=C)=CC(=O)C=C2)C)CC1)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)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_353.5 |
