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9-Epiquinine
SpectraBase Compound ID 3gErgpm9sHM
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14+,19?,20?/m0/s1
InChIKey LOUPRKONTZGTKE-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9zmQxLlWE56
Name Quinidine
CAS Registry Number 56-54-2
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-350.00]
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Formula C20H24N2O2
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InChIKey LOUPRKONTZGTKE-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(C=1C=2C(=CC=C(C2)OC)N=CC1)C1CC2C(CN1CC2)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