| SpectraBase Spectrum ID |
6zKW5uKbD6 |
| Name |
Methylprednisolone-M (21'HOOC-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C22H24O4/c1-12-10-14-15-4-5-17(19(24)20(25)26)21(15,2)9-7-16(14)22(3)8-6-13(23)11-18(12)22/h6-9,11-12,14-16H,4-5,10H2,1-3H3/p+1 |
| InChIKey |
FOIAWSXFXQEJNQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C([C+]1C2(C=CC3C4(C(=CC(C=C4)=O)C(CC3C2CC1)C)C)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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
