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MassBank Record: KO002690

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: KO002690
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: 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-9ea16d2057010279d433
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39.000 94059.5 2
  40.900 163366.5 3
  42.900 69307.0 1
  45.100 44554.5 1
  45.800 9901.0 1
  51.300 44554.5 1
  53.100 79208.0 2
  55.200 118812.0 2
  62.800 262376.5 5
  65.100 14440608.5 275
  66.900 44554.5 1
  68.800 64356.5 1
  75.000 39604.0 1
  77.000 336634.0 6
  79.300 816832.5 16
  81.000 440594.5 8
  83.300 39604.0 1
  89.800 64356.5 1
  91.000 52386191.0 999
  93.200 44554.5 1
  94.100 420792.5 8
  96.700 9901.0 1
  99.900 24752.5 1
  107.100 173267.5 3
  108.300 24752.5 1
  109.000 178218.0 3
  110.400 84158.5 2
  119.400 1707922.5 33
  120.800 29703.0 1
  137.000 183168.5 3
//

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