MassBank Record: KO002840



 Epinine; 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: KO002840
RECORD_TITLE: Epinine; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-21c649b827452d6216d6 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 44.100 29703.0 2 45.000 257426.0 13 45.900 39604.0 2 50.100 69307.0 4 63.200 74257.5 4 68.900 59406.0 3 72.900 153465.5 8 73.300 29703.0 2 75.300 34653.5 2 77.700 39604.0 2 80.100 14851.5 1 80.900 94059.5 5 85.900 64356.5 3 89.100 2574260.0 134 91.100 1351486.5 70 93.000 24752.5 1 94.900 79208.0 4 100.700 34653.5 2 103.800 24752.5 1 106.700 74257.5 4 107.000 118812.0 6 109.200 935644.5 49 117.800 34653.5 2 119.100 1633665.0 85 123.300 267327.0 14 125.000 49505.0 3 131.900 123762.5 6 133.100 232673.5 12 135.900 410891.5 21 137.100 19227742.0 999 151.400 712872.0 37 168.100 861387.0 45 //