MassBank Record: KO000584



 Dihydrocaffeic acid; 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: KO000584
RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D047

CH$NAME: Dihydrocafeate CH$NAME: Dihydrocaffeic acid CH$NAME: 3,4-Dihydroxyphenylpropionic acid CH$NAME: Dihydrocaffeic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O4 CH$EXACT_MASS: 182.05791 CH$SMILES: OC(=O)CCc(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) CH$LINK: CAS 1078-61-1 CH$LINK: KEGG C10447 CH$LINK: NIKKAJI J12.480J CH$LINK: PUBCHEM SID:12630
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 181 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-4589cb5cf740dc1eefe5 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 44.700 217822.0 3 59.000 574258.0 7 72.600 24752.5 1 93.000 158416.0 2 99.000 217822.0 3 109.000 227723.0 3 119.100 212871.5 3 120.800 242574.5 3 123.000 54455.5 1 135.100 74257.5 1 137.000 4316836.0 55 141.200 237624.0 3 144.900 143564.5 2 148.700 108911.0 1 151.300 103960.5 1 181.200 78381266.5 999 //