SpectraBase Spectrum ID |
JICZ7bzEoXw |
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 |
902 |
Retention Index |
2121 |
SMILES |
C=1(N(C(=NC1)COC(=O)C)CCOC(=O)C)[N+](=O)[O-] |
SPLASH |
splash10-000i-9330000000-80052b1e67868da96ed9 |
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_006168 |