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) \n

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
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 //