| SpectraBase Spectrum ID |
9pZ3ZnNRDs |
| Name |
Nimodipine-M (dehydro-O-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 403.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H22N2O7 |
| InChI |
InChI=1S/C20H22N2O7/c1-11(2)29-20(25)17-13(4)21-12(3)16(19(24)28-9-8-23)18(17)14-6-5-7-15(10-14)22(26)27/h5-7,10-11,23H,8-9H2,1-4H3 |
| InChIKey |
PWPBMCUBOQNEJD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCOC(C=1C(=C(C(=NC1C)C)C(OC(C)C)=O)C=1C=C(C=CC1)N(=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
