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Noxiptyline-M (nor-) MS2
SpectraBase Compound ID JLEKbs0b6sE
InChI InChI=1S/C18H20N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3
InChIKey KULDNRCDSCKZMH-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C18H20N2O
Exact Mass 280.157563 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID J9hXJnKfX5n
Name Noxiptyline-M (nor-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-305.00]
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Formula C18H20N2O
InChI InChI=1S/C18H20N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,19H,10-13H2,1H3
InChIKey KULDNRCDSCKZMH-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(CCON=C1C2=CC=CC=C2CCC2=C1C=CC=C2)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