MassBank Record: KO001812



 Syringic 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: KO001812
RECORD_TITLE: Syringic acid; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 197 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-0a0256c7bc33c2d88a4e PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.200 34653.5 3 115.200 29703.0 3 128.800 34653.5 3 137.200 44554.5 4 138.100 39604.0 4 153.200 356436.0 32 165.100 24752.5 2 182.000 59406.0 5 197.300 11044565.5 999 //