| SpectraBase Spectrum ID |
2zupyzxb9fK |
| Name |
Prednisolone |
| CAS Registry Number |
50-24-8 |
| Collision Energy |
20 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
360.193673997 u |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,16-,18?,19-,20-,21-/m0/s1 |
| InChIKey |
OIGNJSKKLXVSLS-YDAVOWJHSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
360.450 g/mol |
| Nominal Mass |
360 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
361.201 |
| SMILES |
O[C@@]1(C(CO)=O)[C@@]2(C(C3C([C@@](O)(C2)[H])[C@@]2(C(CC3)=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 |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_787.3 |
