ACCESSION: MSBNK-Keio_Univ-KO000582
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:40 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: 2-(3,4-Dihydroxyphenyl)ethylamine
CH$NAME: 4-(2-Aminoethyl)-1,2-benzenediol
CH$NAME: 3,4-Dihydroxyphenethylamine
CH$NAME: 4-(2-Aminoethyl)benzene-1,2-diol
CH$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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 152
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-1900000000-97c42b109cab2005373d
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  45.900 34653.5 87
  92.600 64356.5 162
  105.800 9901.0 25
  121.100 108911.0 275
  122.200 396040.0 999
//