MassBank Record: PB005947



 Apomorphine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005947
RECORD_TITLE: Apomorphine; LC-ESI-QTOF; MS2; CE:20 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 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kr-0290000000-1e831a8078d43cfbdb51 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 179.084 20.040 1 187.053 30.060 2 188.061 10.020 0 189.069 150.301 14 190.075 180.361 17 191.084 4559.118 454 192.087 551.102 54 193.091 20.040 1 200.060 80.160 7 201.068 220.441 21 202.074 80.160 7 205.064 20.040 1 207.079 90.180 8 208.082 30.060 2 209.091 20.040 1 218.071 180.361 17 219.078 9589.179 957 220.082 1492.986 148 221.084 60.120 5 225.089 10.020 0 233.091 10.020 0 236.076 10.020 0 237.088 10000.000 999 238.092 1452.906 144 239.096 80.160 7 268.129 200.401 19 269.135 30.060 2 //