MassBank Record: JP002234



 HIPPURIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002234
RECORD_TITLE: HIPPURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: HIPPURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NO3 CH$EXACT_MASS: 179.05824 CH$SMILES: OC(=O)CNC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-8900000000-01e7057139a995115ddb PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 51 35.68 357 52 3.01 30 53 1.18 12 55 1.82 18 56 2.78 28 57 2.09 21 67 1.25 13 69 2.36 24 73 1.56 16 74 4.19 42 75 3.58 36 76 11.81 118 77 95.99 960 78 7.62 76 81 1.21 12 103 1.18 12 104 10.97 110 105 99.99 999 106 12.54 125 133 1.18 12 134 21.08 211 135 27.18 272 136 2.7 27 161 1.25 13 179 2.47 25 //