MassBank Record: JP002237



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

ACCESSION: JP002237
RECORD_TITLE: META-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$NAME: META-METHYLHIPPURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO3 CH$EXACT_MASS: 193.07389 CH$SMILES: OC(=O)CNC(=O)c(c1)cc(C)cc1 CH$IUPAC: InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)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$SPLASH: splash10-014i-6900000000-4a327638e0211a45d7b3 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 51 4.67 47 52 1.29 13 56 2.16 22 62 2.82 28 63 8.84 88 64 4.08 41 65 28.6 286 66 1.92 19 74 2.82 28 77 2.16 22 89 8.76 88 90 10.33 103 91 32.06 321 92 10.05 101 105 1.8 18 118 8.72 87 119 99.99 999 120 10.05 101 134 2.75 28 148 15.44 154 149 21.1 211 150 2.23 22 193 1.17 12 //