MassBank Record: KO001823



 Sinapic acid; 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: KO001823
RECORD_TITLE: Sinapic acid; 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 S028

CH$NAME: Sinapate CH$NAME: Sinapic acid CH$NAME: 3,5-Dimethoxy-4-hydroxycinnamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12O5 CH$EXACT_MASS: 224.06847 CH$SMILES: COc(c1)c(O)c(OC)cc(C=CC(O)=O)1 CH$IUPAC: InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ CH$LINK: CAS 530-59-6 CH$LINK: CHEBI 15714 CH$LINK: KEGG C00482 CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM SID:3765
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 223 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-08fr-0940000000-780771eea370a78b609a PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 59.000 881189.0 132 119.000 44554.5 7 120.800 29703.0 4 124.500 19802.0 3 131.900 34653.5 5 134.700 64356.5 10 141.000 1876239.5 281 147.000 485149.0 73 148.900 2722775.0 408 152.200 14851.5 2 163.100 148515.0 22 164.100 6668323.5 999 178.900 693070.0 104 193.000 267327.0 40 204.400 19802.0 3 208.300 3292082.5 493 223.000 866337.5 130 223.300 1668318.5 250 //