MassBank Record: KO002691

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Dopamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002691
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:50 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: 153.078980000000001382431946694850921630859375
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$LINK: COMPTOX DTXSID6022420
CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N
CH$LINK: KEGG C03758
CH$LINK: NIKKAJI J4.120C
CH$LINK: PUBCHEM SID:6517

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 50 V

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

PK$SPLASH: splash10-014l-9000000000-32ca2db8fe2b4729ab94
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39.200 222772.5 17
  41.100 326733.0 26
  42.800 59406.0 5
  44.300 19802.0 2
  50.900 168317.0 13
  53.100 79208.0 6
  55.300 49505.0 4
  62.900 727723.5 57
  65.100 12777240.5 999
  74.900 44554.5 3
  77.000 326733.0 26
  79.100 212871.5 17
  89.400 108911.0 9
  91.000 8851494.0 692
  94.200 103960.5 8
  107.400 59406.0 5
  109.200 24752.5 2
  119.300 89109.0 7
//