MassBank Record: JP002238



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

ACCESSION: JP002238
RECORD_TITLE: PARA-METHYLHIPPURIC 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$NAME: PARA-METHYLHIPPURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO3 CH$EXACT_MASS: 193.07389 CH$SMILES: OC(=O)CNC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
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$SPLASH: splash10-014i-5900000000-3993dac60df8a66d7eb9 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 51 4.11 41 56 1.61 16 62 2.54 25 63 7.7 77 64 3.22 32 65 30.06 301 66 1.93 19 73 1.25 13 74 1.61 16 77 1.61 16 89 8.31 83 90 8.95 90 91 17.67 177 92 6.05 61 105 1.29 13 118 11.54 115 119 99.99 999 120 10.04 100 148 10.93 109 149 17.11 171 150 1.57 16 193 1.25 13 //