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Carbamazepine
SpectraBase Compound ID A5BmmYu06FG
InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKey FFGPTBGBLSHEPO-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C15H12N2O
Exact Mass 236.094963 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Df78IRHkj66
Name Carbamazepine-M (glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C15H12N2O
InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKey FFGPTBGBLSHEPO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NC(N1C2=CC=CC=C2C=CC=2C=CC=CC12)=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 ms3
Technique ITMS