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Carbromal
SpectraBase Compound ID JLE1syRcAxE
InChI InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKey OPNPQXLQERQBBV-UHFFFAOYSA-N
Mol Weight 237.1 g/mol
Molecular Formula C7H13BrN2O2
Exact Mass 236.016041 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LXQyjVHaqKg
Name Acecarbromal-M (carbromal) MS2
Comments F: ITMS + c ESI d w Full ms2 237.10
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Formula C7H13BrN2O2
InChI InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKey OPNPQXLQERQBBV-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(C(CC)(CC)Br)=O)C(N)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS