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Dibenzepin-M (N5-demethyl-di-HO-) MS2
SpectraBase Compound ID L6Urdax0Ulc
InChI InChI=1S/C17H19N3O3/c1-19(2)7-8-20-14-6-4-3-5-12(14)18-13-10-16(22)15(21)9-11(13)17(20)23/h3-6,9-10,18,21-22H,7-8H2,1-2H3
InChIKey WKZZKBHXOIGGSA-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H19N3O3
Exact Mass 313.142641 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5UsC37BVuy
Name Dibenzepin-M (N5-demethyl-di-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 314.10
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Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-19(2)7-8-20-14-6-4-3-5-12(14)18-13-10-16(22)15(21)9-11(13)17(20)23/h3-6,9-10,18,21-22H,7-8H2,1-2H3
InChIKey WKZZKBHXOIGGSA-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C=2C=C(C(=CC2C(N(CCN(C)C)C2=C1C=CC=C2)=O)O)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