| SpectraBase Spectrum ID |
DlSxGpnPkem |
| Name |
Metoclopramide-M (Desethyl) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
271.108754530 u |
| Formula |
C12H18ClN3O2 |
| InChI |
InChI=1S/C12H18ClN3O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17) |
| InChIKey |
RTQMQUZXBADBGJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
271.748 g/mol |
| Nominal Mass |
271 u |
| Quality |
895 |
| Retention Index |
2172 |
| SMILES |
NC1=C(C=C(C(=C1)OC)C(NCCNCC)=O)Cl |
| SPLASH |
splash10-0a4i-9100000000-287407da7f6e42850ce7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-amino-5-chloro-N-(2-(ethylamino)ethyl)-2-methoxybenzamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002446 |
