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Noxiptyline-M (nor-HO-) isomer 2 MS2
SpectraBase Compound ID 5qe44shLyn7
InChI InChI=1S/C18H20N2O2/c1-19-10-11-22-20-18-16-5-3-2-4-13(16)6-7-14-12-15(21)8-9-17(14)18/h2-5,8-9,12,19,21H,6-7,10-11H2,1H3/b20-18-
InChIKey RIAYDKDZMRAKRU-ZZEZOPTASA-N
Mol Weight 296.37 g/mol
Molecular Formula C18H20N2O2
Exact Mass 296.152478 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7drHp0htqzZ
Name Noxiptyline-M (nor-HO-) isomer-2
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-320.00]
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Formula C18H20N2O2
InChI InChI=1S/C18H20N2O2/c1-19-10-11-22-20-18-16-5-3-2-4-13(16)6-7-14-12-15(21)8-9-17(14)18/h2-5,8-9,12,19,21H,6-7,10-11H2,1H3/b20-18-
InChIKey RIAYDKDZMRAKRU-ZZEZOPTASA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC=1C=CC2=C(CCC3=CC=CC=C3\C2=N\OCCNC)C1
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