MassBank Record: KO002817



 Dobutamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002817
RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 302 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0409000000-f41b2ba5a7a16faab22e PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 57.200 143564.5 8 68.000 94059.5 5 71.200 752476.0 43 81.300 19802.0 1 85.100 297030.0 17 85.700 94059.5 5 96.900 19802.0 1 98.800 64356.5 4 107.200 1415843.0 81 109.500 9901.0 1 119.200 108911.0 6 119.800 14851.5 1 122.300 19802.0 1 122.900 79208.0 5 127.100 118812.0 7 128.900 24752.5 1 137.000 3118815.0 179 140.900 69307.0 4 145.100 84158.5 5 149.100 262376.5 15 151.400 24752.5 1 154.100 707921.5 41 154.900 29703.0 2 159.100 351485.5 20 165.300 19802.0 1 166.200 1059407.0 61 172.700 29703.0 2 178.500 74257.5 4 180.900 69307.0 4 181.900 39604.0 2 185.900 24752.5 1 189.400 9901.0 1 191.100 29703.0 2 198.100 34653.5 2 198.500 14851.5 1 199.400 24752.5 1 210.800 14851.5 1 220.100 84158.5 5 225.400 44554.5 3 226.300 34653.5 2 236.200 108911.0 6 239.200 29703.0 2 241.600 19802.0 1 242.000 34653.5 2 284.700 29703.0 2 285.600 108911.0 6 302.700 17435661.0 999 //