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) \n

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$LINK: PUBCHEM SID:6517
AC$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 //