ACCESSION: MSBNK-Keio_Univ-KO003148
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H078

CH$NAME: Dopamine(2)
CH$NAME: 4-(2-Aminoethyl)benzene-1,2-diol
CH$NAME: 2-(3,4-Dihydroxyphenyl)ethylamine
CH$NAME: 4-(2-Aminoethyl)-1,2-benzenediol
CH$NAME: 3,4-Dihydroxyphenethylamine
CH$NAME: Dopamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO₂
CH$EXACT_MASS: 153.07898
CH$SMILES: NCCc(c1)cc(O)c(O)c1
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: CAS 51-61-6
CH$LINK: CHEBI 18243
CH$LINK: KEGG C03758
CH$LINK: NIKKAJI J4.120C
CH$LINK: PUBCHEM SID:6517
CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022420

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 154
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0f79-0900000000-ff587935c79b4592ffcf
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  50.000 1287130.0 14
  63.800 34653.5 1
  65.100 94059.5 1
  67.900 252475.5 3
  73.800 14851.5 1
  76.100 74257.5 1
  76.800 84158.5 1
  80.900 24752.5 1
  81.900 450495.5 5
  89.900 24752.5 1
  91.000 514852.0 6
  91.900 173267.5 2
  93.800 64356.5 1
  94.200 123762.5 1
  95.000 74257.5 1
  97.700 29703.0 1
  101.100 64356.5 1
  101.400 34653.5 1
  104.300 29703.0 1
  105.200 54455.5 1
  106.900 198020.0 2
  109.000 99010.0 1
  117.800 158416.0 2
  119.300 2198022.0 24
  122.200 257426.0 3
  136.000 777228.5 8
  137.100 92787221.5 999
  154.200 71767398.5 773
  171.800 39604.0 1
//