MassBank Record: PB005945



 Apomorphine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005945
RECORD_TITLE: Apomorphine; LC-ESI-QTOF; MS2; CE:10 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 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014r-0090000000-29608efdadd8efd375a6 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 191.083 70.070 6 207.079 20.020 1 219.078 1841.842 183 220.082 250.250 24 221.084 10.010 0 225.088 30.030 2 236.076 10.010 0 237.088 8498.498 848 238.092 1051.051 104 239.096 60.060 5 267.118 30.030 2 267.934 10.010 0 268.130 10000.000 999 269.134 1451.451 144 270.136 80.080 7 //