| SpectraBase Spectrum ID |
8Fs7dz3abRo |
| Name |
Metronidazole-M (Methyl-OH) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
187.059305778 u |
| Formula |
C6H9N3O4 |
| InChI |
InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2 |
| InChIKey |
AEHPOYAOLCAMIU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
187.155 g/mol |
| Nominal Mass |
187 u |
| Quality |
856 |
| Retention Index |
1527 |
| SMILES |
OCC1=NC=C(N1CCO)[N+](=O)[O-] |
| SPLASH |
splash10-00xr-9800000000-1d51e5c2c3adad1c10eb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl)ethan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006165 |
