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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 KwU23Nimzc0
Name Metronidazole-M (HO-methyl-) 2AC
Classification Antiamebic
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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
SMILES c1([n](CCOC(=O)C)c(nc1)COC(C)=O)N(=O)=O
SPLASH splash10-000i-9440000000-b22af511cafd5ce5aebc
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1832