ACCESSION: MSBNK-Keio_Univ-KO003152
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-014l-9000000000-271874005dcb90288512
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  38.900 123762.5 12
  41.100 232673.5 23
  51.200 118812.0 12
  53.100 39604.0 4
  55.300 54455.5 5
  63.100 549505.5 54
  65.200 10084168.5 999
  66.900 29703.0 3
  75.000 24752.5 2
  76.900 207921.0 21
  79.100 138614.0 14
  81.000 54455.5 5
  89.100 108911.0 11
  91.100 6599016.5 654
  94.300 74257.5 7
  107.000 49505.0 5
  119.100 54455.5 5
//