MassBank Record: KO001027



 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001027
RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:50 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 H028

CH$NAME: o-Hydroxyhippurate CH$NAME: N-(2-Hydroxybenzoyl)-glycine CH$NAME: Salicylurate CH$NAME: Salicyluric acid CH$NAME: 2-Hydroxyhippuric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NO4 CH$EXACT_MASS: 195.05316 CH$SMILES: OC(=O)CNC(=O)c(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) CH$LINK: CAS 487-54-7 CH$LINK: CHEBI 9008 CH$LINK: KEGG C07588 CH$LINK: NIKKAJI J54.010B CH$LINK: PUBCHEM SID:9790
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-8daa85624d5a46018858 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 39.100 29703.0 2 59.200 24752.5 2 65.300 1064357.5 82 67.300 49505.0 4 74.000 183168.5 14 75.000 183168.5 14 92.400 113861.5 9 93.200 12915854.5 999 118.100 59406.0 5 121.100 9901.0 1 //