MassBank Record: KO001814



 Syringic acid; 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: KO001814
RECORD_TITLE: Syringic acid; 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 S018

CH$NAME: Syringate CH$NAME: Syringic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O5 CH$EXACT_MASS: 198.05282 CH$SMILES: COc(c1)c(O)c(OC)cc(C(O)=O)1 CH$IUPAC: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) CH$LINK: CAS 530-57-4 CH$LINK: KEGG C10833 CH$LINK: NIKKAJI J11.712I CH$LINK: PUBCHEM SID:13016
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 197 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-1900000000-01d0ea76c3ba0db41782 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 58.800 24752.5 10 78.200 455446.0 180 89.300 356436.0 141 91.300 178218.0 71 95.200 74257.5 29 105.800 712872.0 282 120.900 2524755.0 999 123.000 767327.5 304 136.800 34653.5 14 138.200 668317.5 264 152.600 99010.0 39 166.700 202970.5 80 182.200 123762.5 49 196.700 34653.5 14 //