| SpectraBase Spectrum ID |
1uA2GZ5GeQ5 |
| Name |
Prednisone MS2 |
| CAS Registry Number |
53-03-2 |
| Comments |
F: ITMS + c ESI d w Full ms2 359.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26O5 |
| InChI |
InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 |
| InChIKey |
XOFYZVNMUHMLCC-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCC(C1(C2(CC(C3C4(C)C(=CC(C=C4)=O)CCC3C2CC1)=O)C)O)=O |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
