ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40198177

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
//