MassBank Record: JP002233



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

ACCESSION: JP002233
RECORD_TITLE: PHENATURIC 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$NAME: PHENATURIC ACID CH$NAME: PHENYLACETAMIDOACETIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO3 CH$EXACT_MASS: 193.07389 CH$SMILES: OC(=O)CNC(=O)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
AC$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: splash10-0006-9000000000-96f6d1819364e0910beb PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 51 9.49 95 52 3 30 55 3.54 35 56 24.89 249 57 1.39 14 58 1.24 12 59 1.04 10 61 1.3 13 62 5.32 53 63 10.98 110 64 8.57 86 65 29.42 294 66 2.03 20 73 9.49 95 74 30.8 308 75 1.96 20 76 2.02 20 77 1.93 19 84 1.3 13 88 1.59 16 89 9.1 91 90 7.61 76 91 99.99 999 92 74.16 742 93 6.79 68 102 2.01 20 117 2.4 24 118 1.3 13 119 1.59 16 149 4.41 44 193 4.58 46 194 1.24 12 //