MassBank Record: KO001813



 Syringic 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: KO001813
RECORD_TITLE: Syringic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 197 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0fka-0900000000-254d42fb132329839152 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 58.700 9901.0 4 85.200 138614.0 51 106.000 34653.5 13 115.100 69307.0 26 121.200 2698022.5 999 123.100 44554.5 16 125.000 49505.0 18 138.200 1103961.5 409 153.000 2301982.5 852 166.700 118812.0 44 181.900 707921.5 262 197.100 1361387.5 504 //