ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004453
RECORD_TITLE: 6-(4-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE; 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$NAME: 6-(4-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇FN₂O
CH$EXACT_MASS: 190.05424
CH$SMILES: Fc(c2)ccc(c2)C(N=1)=CC(=O)NC1
CH$IUPAC: InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
CH$LINK: INCHIKEY UWDUMRWLLYZYBY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30345552

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-0006-1900000000-57d528650e9eb1d401a1
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  50 2.4 24
  51 2.3 23
  56 0.6 6
  57 0.24 2
  60 0.8 8
  63 1.2 12
  67 0.7 7
  67.5 0.12 1
  68 3.9 39
  70 0.6 6
  73 0.6 6
  74 0.19 2
  75 3.9 39
  76 0.8 8
  82 0.6 6
  83 0.22 2
  85 1.4 14
  94 3.6 36
  95 8.8 88
  96 0.19 2
  99 0.8 8
  101 0.6 6
  107 5.1 51
  108 0.58 6
  111 0.8 8
  120 7 70
  121 4 40
  122 2.55 26
  123 4.3 43
  134 5.1 51
  135 8.1 81
  136 0.12 1
  140 0.6 6
  146 0.6 6
  147 2.2 22
  149 0.09 1
  161 2.4 24
  162 14.3 143
  163 2.3 23
  171 0.08 1
  189 48.5 485
  190 99.99 999
  191 11.4 114
  192 0.8 8
//