| SpectraBase Spectrum ID |
5pudlLwq3M |
| Name |
Methylprednisolone MS2 |
| CAS Registry Number |
83-43-2 |
| Comments |
F: ITMS + c ESI d w Full ms2 375.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H30O5 |
| InChI |
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3 |
| InChIKey |
VHRSUDSXCMQTMA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCC(C1(C2(C)CC(C3C4(C(=CC(C=C4)=O)C(CC3C2CC1)C)C)O)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 |
