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MassBank Record: KO003150

Dopamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003150
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0006-9300000000-356a4b8f268863c7893e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  40.700 19802.0 1
  45.000 89109.0 1
  46.600 14851.5 1
  62.700 19802.0 1
  65.200 1292080.5 20
  66.800 24752.5 1
  69.100 44554.5 1
  70.900 54455.5 1
  74.000 39604.0 1
  75.300 19802.0 1
  77.100 69307.0 1
  79.200 792080.0 12
  81.300 1306932.0 20
  91.000 64524817.0 999
  93.000 94059.5 1
  94.200 301980.5 5
  97.400 34653.5 1
  105.300 49505.0 1
  107.200 272277.5 4
  108.900 1435645.0 22
  117.400 39604.0 1
  119.100 16490115.5 255
  127.100 19802.0 1
  135.900 99010.0 2
  137.200 7425750.0 115
//

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