MassBank Record: PB005842



 Cinchonine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005842
RECORD_TITLE: Cinchonine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.20, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2401
COMMENT: CONFIDENCE: confident structure

CH$NAME: Cinchonine CH$NAME: (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl)-quinolin-4-ylmethanol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C19H22N2O CH$EXACT_MASS: 294.17321 CH$SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O CH$IUPAC: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13?,14?,18?,19-/m0/s1 CH$LINK: INCHIKEY KMPWYEUPVWOPIM-QHQSXHFQSA-N CH$LINK: PUBCHEM CID:8350
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0090000000-b37e53ebc4c98fbfdc7e PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 130.063 30.030 2 156.079 10.010 0 166.120 20.020 1 168.079 10.010 0 206.095 10.010 0 222.118 10.010 0 223.120 30.030 2 234.124 50.050 4 235.123 30.030 2 236.132 20.020 1 246.123 10.010 0 248.139 30.030 2 249.136 10.010 0 252.136 20.020 1 266.154 10.010 0 267.180 10.010 0 277.166 870.871 86 278.169 120.120 11 294.915 10.010 0 294.991 10.010 0 295.176 10000.000 999 295.485 10.010 0 296.179 1431.431 142 297.182 10.010 0 //