MassBank Record: KO001024



 2-Hydroxyhippuric 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: KO001024
RECORD_TITLE: 2-Hydroxyhippuric 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-2900000000-d099d157b6253af681d3 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 59.000 94059.5 3 59.400 24752.5 1 74.100 173267.5 6 88.300 14851.5 1 93.200 8584167.0 281 100.100 762377.0 25 103.900 44554.5 1 107.100 39604.0 1 119.800 29703.0 1 121.000 168317.0 6 123.200 59406.0 2 132.000 74257.5 2 136.200 108911.0 4 137.300 425743.0 14 148.200 202970.5 7 149.300 99010.0 3 150.200 30529733.5 999 163.100 29703.0 1 166.300 19802.0 1 194.300 5683174.0 186 //