MassBank Record: KO002818



 Dobutamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002818
RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:30 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 D185

CH$NAME: Dobutamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H23NO3 CH$EXACT_MASS: 301.16779 CH$SMILES: CC(NCCc(c2)cc(O)c(O)c2)CCc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3 CH$LINK: CAS 34368-04-2 CH$LINK: KEGG C06967 CH$LINK: NIKKAJI J244.475E CH$LINK: PUBCHEM SID:9181
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052r-0900000000-5a6988f6f954cc4d5970 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 43.100 49505.0 4 49.700 19802.0 2 57.300 450495.5 35 58.100 128713.0 10 69.100 54455.5 4 71.000 757426.5 58 80.800 44554.5 3 83.100 29703.0 2 85.300 252475.5 19 88.700 19802.0 2 90.800 495050.0 38 95.100 39604.0 3 97.200 19802.0 2 98.800 34653.5 3 102.900 39604.0 3 107.300 9341593.5 716 109.200 123762.5 9 111.100 34653.5 3 117.800 29703.0 2 119.100 747525.5 57 123.400 74257.5 6 123.700 29703.0 2 137.200 13029716.0 999 139.000 9901.0 1 145.200 19802.0 2 149.000 257426.0 20 154.200 445545.0 34 159.200 84158.5 6 166.500 910892.0 70 175.000 24752.5 2 177.800 24752.5 2 181.800 29703.0 2 198.600 19802.0 2 220.400 24752.5 2 235.800 44554.5 3 302.800 851486.0 65 //