MassBank Record: JP002236



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

ACCESSION: JP002236
RECORD_TITLE: ORTHO-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$NAME: ORTHO-METHYLHIPPURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO3 CH$EXACT_MASS: 193.07389 CH$SMILES: OC(=O)CNC(=O)c(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(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$SPLASH: splash10-014l-8900000000-f3facdb25edf52b32bf5 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 51 4.89 49 56 2.44 24 62 2.44 24 63 7.69 77 64 3.14 31 65 31.11 311 66 2.79 28 73 2.44 24 74 3.14 31 77 2.44 24 89 13.28 133 90 21.67 217 91 86.71 867 92 10.48 105 105 2.09 21 117 4.89 49 118 72.72 727 119 99.99 999 120 8.74 87 148 2.09 21 149 2.44 24 175 2.79 28 193 8.04 80 //