ACCESSION: MSBNK-Keio_Univ-KO002687
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 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 10 V

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

PK$SPLASH: splash10-0f79-0900000000-099173d4201beca9e548
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  50.300 1663368.0 13
  56.400 39604.0 1
  62.200 19802.0 1
  64.400 19802.0 1
  68.200 445545.0 3
  74.200 24752.5 1
  77.300 79208.0 1
  81.000 39604.0 1
  82.200 435644.0 3
  83.900 29703.0 1
  91.000 727723.5 6
  93.200 34653.5 1
  93.800 148515.0 1
  99.900 39604.0 1
  103.700 44554.5 1
  104.500 59406.0 1
  107.000 247525.0 2
  109.100 148515.0 1
  112.900 49505.0 1
  118.300 74257.5 1
  119.100 3262379.5 25
  120.200 44554.5 1
  122.200 504951.0 4
  136.000 504951.0 4
  137.200 131940726.0 999
  154.200 98069405.0 743
  161.400 14851.5 1
  172.000 49505.0 1
//