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Dibenzepin-M (N-oxide) MS2
SpectraBase Compound ID FwEZMOPkd3J
InChI InChI=1S/C18H22N3O2/c1-19-15-9-5-4-8-14(15)18(22)20(12-13-21(2,3)23)17-11-7-6-10-16(17)19/h4-11,23H,12-13H2,1-3H3/q+1
InChIKey YMXFLDHSLJKPSO-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C18H22N3O2
Exact Mass 312.171202 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GuRMYtYrl95
Name Dibenzepin-M (N-oxide)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-335.00]
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Formula C18H21N3O2
InChI InChI=1S/C18H22N3O2/c1-19-15-9-5-4-8-14(15)18(22)20(12-13-21(2,3)23)17-11-7-6-10-16(17)19/h4-11,23H,12-13H2,1-3H3/q+1
InChIKey YMXFLDHSLJKPSO-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES O[N+](C)(CCN1C2=C(C=CC=C2)N(C)C2=C(C=CC=C2)C1=O)C
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