ACCESSION: MSBNK-IPB_Halle-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

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
CH$LINK: COMPTOX DTXSID6022420

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
//