ACCESSION: MSBNK-Keio_Univ-KO002688
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:20 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 D046

CH$NAME: Dopamine
CH$NAME: 4-(2-Aminoethyl)benzene-1,2-diol
CH$NAME: 2-(3,4-Dihydroxyphenyl)ethylamine
CH$NAME: 4-(2-Aminoethyl)-1,2-benzenediol
CH$NAME: 3,4-Dihydroxyphenethylamine
CH$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 20 V

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

PK$SPLASH: splash10-000i-1900000000-9dc09f2661247c9d84b0
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  38.900 232673.5 2
  44.700 54455.5 1
  49.900 133663.5 1
  59.400 34653.5 1
  61.200 14851.5 1
  64.900 84158.5 1
  68.300 19802.0 1
  69.000 24752.5 1
  70.600 19802.0 1
  71.800 39604.0 1
  72.700 193069.5 2
  74.000 59406.0 1
  74.900 89109.0 1
  77.100 24752.5 1
  79.000 64356.5 1
  80.800 405941.0 4
  89.200 34653.5 1
  90.200 34653.5 1
  91.000 19901010.0 182
  92.900 29703.0 1
  94.300 99010.0 1
  95.200 64356.5 1
  98.000 282178.5 3
  105.000 89109.0 1
  105.700 14851.5 1
  107.300 74257.5 1
  109.300 1920794.0 18
  119.100 21282199.5 194
  120.400 24752.5 1
  121.300 19802.0 1
  122.200 64356.5 1
  135.900 168317.0 2
  137.200 109351594.5 999
  154.100 391089.5 4
//