| SpectraBase Spectrum ID |
JFMSESrGKBs |
| Name |
Metronidazole-M (Methyl-OH) 2AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
271.080435145 u |
| Formula |
C10H13N3O6 |
| InChI |
InChI=1S/C10H13N3O6/c1-7(14)18-4-3-12-9(6-19-8(2)15)11-5-10(12)13(16)17/h5H,3-4,6H2,1-2H3 |
| InChIKey |
AAPXYEWRARRNMI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
271.229 g/mol |
| Nominal Mass |
271 u |
| Quality |
904 |
| Retention Index |
2121 |
| SMILES |
C=1(N(C(=NC1)COC(=O)C)CCOC(=O)C)[N+](=O)[O-] |
| SPLASH |
splash10-000i-9420000000-65a7715194a134d46410 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1-(2-(acetyloxy)ethyl)-5-nitro-1H-imidazol-2-yl)methyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005564 |
