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Dibenzepin-M (N5-demethyl-)
SpectraBase Compound ID FqdDcVkn5X5
InChI InChI=1S/C17H19N3O/c1-19(2)11-12-20-16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)17(20)21/h3-10,18H,11-12H2,1-2H3
InChIKey STBMTRPPGSYEFD-UHFFFAOYSA-N
Mol Weight 281.36 g/mol
Molecular Formula C17H19N3O
Exact Mass 281.152812 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8YXS3vuBZzy
Name Dibenzepin-M (N5-demethyl-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-305.00]
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Formula C17H19N3O
InChI InChI=1S/C17H19N3O/c1-19(2)11-12-20-16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)17(20)21/h3-10,18H,11-12H2,1-2H3
InChIKey STBMTRPPGSYEFD-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1C2=C(C(N(C3=C1C=CC=C3)CCN(C)C)=O)C=CC=C2
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD