MassBank Record: KO002841



 Epinine; 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: KO002841
RECORD_TITLE: Epinine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9600000000-d1e968124aaf320bcffc PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 44.100 89109.0 9 45.100 475248.0 46 60.300 19802.0 2 64.900 69307.0 7 66.600 39604.0 4 68.900 39604.0 4 77.200 44554.5 4 78.900 143564.5 14 79.400 29703.0 3 80.200 19802.0 2 81.300 232673.5 23 86.300 79208.0 8 88.900 306931.0 30 90.900 10267337.0 999 94.000 54455.5 5 96.200 29703.0 3 104.900 94059.5 9 106.900 108911.0 11 109.200 658416.5 64 119.300 4777232.5 465 123.100 59406.0 6 135.800 232673.5 23 137.100 3292082.5 320 168.000 39604.0 4 //