MassBank Record: KO002839



 Epinine; 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: KO002839
RECORD_TITLE: Epinine; 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 E013

CH$NAME: Epinine CH$NAME: Deoxyepinephrine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H13NO2 CH$EXACT_MASS: 167.09463 CH$SMILES: CNCCc(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3 CH$LINK: CAS 501-15-5 CH$LINK: KEGG C07453 CH$LINK: NIKKAJI J6.117D CH$LINK: PUBCHEM SID:9656
AC$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$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-af3f6b2fb280237cf053 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 45.800 24752.5 1 50.100 410891.5 13 63.800 44554.5 1 67.800 133663.5 4 73.000 29703.0 1 75.700 89109.0 3 78.400 673268.0 21 79.100 29703.0 1 82.000 301980.5 9 83.100 39604.0 1 88.900 430693.5 13 91.100 99010.0 3 92.400 19802.0 1 93.000 19802.0 1 96.500 54455.5 2 103.700 39604.0 1 107.300 69307.0 2 108.000 321782.5 10 109.300 316832.0 10 117.900 64356.5 2 119.400 277228.0 9 121.400 19802.0 1 123.200 118812.0 4 132.200 232673.5 7 133.200 277228.0 9 134.000 14851.5 1 136.100 1029704.0 32 137.200 5188124.0 162 149.900 178218.0 6 151.200 9450504.5 296 168.200 31920824.0 999 //