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MassBank Record: KO002689

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: KO002689
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 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 30 V

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

PK$SPLASH: splash10-0006-9300000000-8b85fa9aac1ffb4c2873
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  38.800 153465.5 2
  44.900 113861.5 1
  54.900 54455.5 1
  59.100 29703.0 1
  65.200 1925744.5 22
  67.100 39604.0 1
  69.100 89109.0 1
  72.600 24752.5 1
  73.300 24752.5 1
  73.800 24752.5 1
  76.900 103960.5 1
  79.300 1178219.0 14
  81.200 1732675.0 20
  91.000 86277314.0 999
  93.200 94059.5 1
  94.300 475248.0 6
  98.200 39604.0 1
  105.000 84158.5 1
  107.100 435644.0 5
  109.200 1757427.5 20
  110.200 34653.5 1
  119.100 21346556.0 247
  120.800 19802.0 1
  134.800 34653.5 1
  135.900 94059.5 1
  137.200 9301989.5 108
//

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