MassBank Record: KO002687



 Dopamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002687
RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM SID:6517
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0f79-0900000000-099173d4201beca9e548 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 50.300 1663368.0 13 56.400 39604.0 1 62.200 19802.0 1 64.400 19802.0 1 68.200 445545.0 3 74.200 24752.5 1 77.300 79208.0 1 81.000 39604.0 1 82.200 435644.0 3 83.900 29703.0 1 91.000 727723.5 6 93.200 34653.5 1 93.800 148515.0 1 99.900 39604.0 1 103.700 44554.5 1 104.500 59406.0 1 107.000 247525.0 2 109.100 148515.0 1 112.900 49505.0 1 118.300 74257.5 1 119.100 3262379.5 25 120.200 44554.5 1 122.200 504951.0 4 136.000 504951.0 4 137.200 131940726.0 999 154.200 98069405.0 743 161.400 14851.5 1 172.000 49505.0 1 //