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Nomifensine-M (N-oxide-HO-) isomer 1 MS2
SpectraBase Compound ID EJ6FfgsgJmj
InChI InChI=1S/C16H18N2O2/c1-18-9-14(11-5-7-12(19)8-6-11)13-3-2-4-16(17-20)15(13)10-18/h2-8,14,17,19-20H,9-10H2,1H3
InChIKey RKGPNURQXGPIDJ-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 1ve0gyovHlU
Name Nomifensine-M (N-oxide-HO-) isomer-1
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-280.00]
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Formula C16H19N2O2
InChI InChI=1S/C16H18N2O2/c1-18-9-14(11-5-7-12(19)8-6-11)13-3-2-4-16(17-20)15(13)10-18/h2-8,14,17,19-20H,9-10H2,1H3
InChIKey RKGPNURQXGPIDJ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C=1C=CC=C2C1CN(CC2C1=CC=C(C=C1)O)C)O
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