ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003689
RECORD_TITLE: 5-METHYL-5-PHENYL-BARBITURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHYL-5-PHENYL-BARBITURIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀N₂O₃
CH$EXACT_MASS: 218.06914
CH$SMILES: O=C(N2)NC(=O)C(C)(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16)
CH$LINK: INCHIKEY LSAOZCAKUIANSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00226900

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-9700000000-10e55cf90f64118634b5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50 13 130
  51 66 660
  52 53 530
  63 1 10
  65 5 50
  66 9 90
  70 5 50
  74 0.03 0
  75 3 30
  76 6 60
  77 31 310
  78 0.31 3
  89 4 40
  91 3 30
  102 6 60
  103 0.31 3
  104 99.99 999
  105 10 100
  132 26 260
  133 0.13 1
  141 4 40
  156 6 60
  176 3 30
  218 0.58 6
  219 9 90
//