| SpectraBase Spectrum ID |
CkfIrdhZfia |
| Name |
Nimodipine-M (dehydro-O-demethyl-O-dealkyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 361.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H16N2O7 |
| InChI |
InChI=1S/C17H16N2O7/c1-9-13(16(21)22)15(11-4-3-5-12(8-11)19(24)25)14(10(2)18-9)17(23)26-7-6-20/h3-5,8,20H,6-7H2,1-2H3,(H,21,22) |
| InChIKey |
ZLXKSOZBHGFHBH-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCOC(C1=C(N=C(C(C(O)=O)=C1C=1C=C(C=CC1)N(=O)=O)C)C)=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 |
