| SpectraBase Spectrum ID |
DinQdo2BTIZ |
| Name |
Methylprednisolone-M (20'HOOC-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C21H25O3/c1-12-8-15-16-5-4-13(11-22)21(16,3)10-18(24)19(15)20(2)7-6-14(23)9-17(12)20/h4,6-7,9,12,15-16,18-19,24H,5,8,10H2,1-3H3/q+1 |
| InChIKey |
FEMBLDGUPRRRDV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1CC2(C(C#[O+])=CCC2C2C1C1(C(C(C2)C)=CC(C=C1)=O)C)C |
| 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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
