| SpectraBase Spectrum ID |
6UX9GTzWNbD |
| Name |
Nimodipine-M (dehydro-O-demethyl-O-dealkyl-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-385.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OCCOC(C1=C(N=C(C(C(O)=O)=C1C=1C=C(C=CC1)N(=O)=O)C)C)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
