MassBank Record: KO001023



 2-Hydroxyhippuric 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: KO001023
RECORD_TITLE: 2-Hydroxyhippuric 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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 194 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-d6d7f1809f1779d278b3 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.000 123762.5 2 60.100 34653.5 1 93.300 44554.5 1 100.000 79208.0 1 119.600 44554.5 1 136.800 54455.5 1 140.700 59406.0 1 150.000 3099013.0 52 194.300 59376297.0 999 //