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MassBank Record: KO003151

Dopamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003151
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 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-a88c1004f357858fbc6c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40.900 148515.0 4
  53.300 79208.0 2
  55.100 54455.5 1
  57.500 14851.5 1
  62.900 198020.0 5
  65.200 10886149.5 274
  66.900 39604.0 1
  69.100 84158.5 2
  71.900 9901.0 1
  73.300 14851.5 1
  76.900 272277.5 7
  78.800 663367.0 17
  81.100 316832.0 8
  89.400 94059.5 2
  90.400 128713.0 3
  91.000 39712911.0 999
  92.900 39604.0 1
  94.100 351485.5 9
  95.300 59406.0 1
  107.300 138614.0 3
  109.000 153465.5 4
  110.100 84158.5 2
  118.100 39604.0 1
  119.100 1138615.0 29
  120.300 19802.0 1
  135.700 19802.0 1
  137.000 178218.0 4
//

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