MassBank Record: PB005946



 Apomorphine; 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: PB005946
RECORD_TITLE: Apomorphine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.05, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2542
COMMENT: CONFIDENCE: confident structure

CH$NAME: Apomorphine CH$NAME: (6aS)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C17H17NO2 CH$EXACT_MASS: 267.12593 CH$SMILES: CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O CH$IUPAC: InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 CH$LINK: INCHIKEY VMWNQDUVQKEIOC-CYBMUJFWSA-N CH$LINK: PUBCHEM CID:6005
AC$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$SPLASH: splash10-000i-0090000000-052772c02bbf103a3ef5 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 189.068 20.020 1 190.076 20.020 1 191.083 540.540 53 192.086 60.060 5 200.060 10.010 0 201.067 30.030 2 202.073 10.010 0 207.078 50.050 4 208.082 10.010 0 218.070 20.020 1 219.078 4034.034 402 220.081 610.611 60 221.085 30.030 2 225.088 20.020 1 236.077 10.010 0 236.923 10.010 0 237.088 10000.000 999 238.092 1371.371 136 239.096 70.070 6 268.130 1451.451 144 269.133 240.240 23 270.136 10.010 0 //