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Noxiptilin
SpectraBase Compound ID 6ChrbpiFjf
InChI InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3
InChIKey GPTURHKXTUDRPC-UHFFFAOYSA-N
Mol Weight 294.4 g/mol
Molecular Formula C19H22N2O
Exact Mass 294.173213 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FxwVol4lcbb
Name Noxiptyline
CAS Registry Number 3362-45-6
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-320.00]
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Formula C19H22N2O
InChI InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3
InChIKey GPTURHKXTUDRPC-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C1=2C(=CC=CC2)C(C2=C(C=CC=C2)CC1)=NOCCN(C)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