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Metronidazole-M (Methyl-OH) 2AC
SpectraBase Compound ID KK6JaNHoKvM
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
Mol Weight 271.23 g/mol
Molecular Formula C10H13N3O6
Exact Mass 271.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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