MassBank Record: KO001026



 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001026
RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-511684503214f5c46668 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 42.200 29703.0 1 59.100 39604.0 2 65.100 514852.0 20 74.100 391089.5 15 93.100 25584184.0 999 106.100 24752.5 1 106.900 49505.0 2 118.100 79208.0 3 121.300 311881.5 12 147.600 14851.5 1 150.400 148515.0 6 //