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Cinchonan-9-ol, (8-alpha,9R)-
SpectraBase Compound ID EOz2YSxg2Js
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14+,18?,19?/m1/s1
InChIKey KMPWYEUPVWOPIM-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 2nAxcIQy51K
Name Cinchonidine MS2
Comments F: ITMS + c ESI d w Full ms2 295.10
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Formula C19H22N2O
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2
InChIKey KMPWYEUPVWOPIM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C=1C=2C=CC=CC2N=CC1)C1CC2C(CN1CC2)C=C
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS