MassBank Record: PB000482



 Dopamine; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000482
RECORD_TITLE: Dopamine; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 268
COMMENT: CONFIDENCE: 

CH$NAME: Dopamine CH$NAME: 4-(2-aminoethyl)benzene-1,2-diol CH$COMPOUND_CLASS: Natural Product; biogenic amine CH$FORMULA: C8H11NO2 CH$EXACT_MASS: 153.07898 CH$SMILES: C1=CC(=C(C=C1CCN)O)O CH$IUPAC: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: KEGG C03758 CH$LINK: PUBCHEM CID:681
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-9000000000-76762d9949198fa094f7 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 39.023 335.044 32 41.039 227.028 21 51.024 333.966 32 53.041 122.030 11 55.020 63.387 5 63.023 529.085 51 64.028 22.638 1 65.039 10000.000 999 66.046 89.043 7 75.023 41.395 3 77.039 129.361 11 79.054 120.305 11 89.036 97.452 8 91.054 4634.988 462 94.042 79.772 6 110.036 43.551 3 //