ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004451
RECORD_TITLE: 2-(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$NAME: 2-(4-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H7FN2O
CH$EXACT_MASS: 190.05424
CH$SMILES: Fc(c2)ccc(c2)C(=N1)NC(=O)C=C1
CH$IUPAC: InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-12-6-5-9(14)13-10/h1-6H,(H,12,13,14)
CH$LINK: INCHIKEY SLVBPLUHJQMEAO-UHFFFAOYSA-N
AC$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: splash10-0006-3900000000-67d01762d498bb2a2174
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  53 0.8 8
  57 2.2 22
  60 1.3 13
  61 0.11 1
  62 0.9 9
  64 0.7 7
  65 0.5 5
  67.5 0.11 1
  68 2.7 27
  69 0.6 6
  70 1.7 17
  71 0.11 1
  73 0.8 8
  74 1.5 15
  75 8.4 84
  81.5 0.07 1
  82 1.1 11
  83 2.6 26
  85 1.6 16
  86 0.07 1
  87 0.6 6
  91 0.7 7
  93 0.5 5
  94 0.76 8
  95 26.9 269
  96 3.1 31
  97 0.6 6
  99 0.07 1
  104 0.6 6
  106 0.6 6
  107 1.8 18
  108 0.13 1
  111 0.7 7
  120 1.1 11
  121 8.2 82
  122 8.81 88
  123 7.4 74
  124 0.7 7
  134 1.3 13
  135 0.52 5
  136 0.8 8
  137 1.1 11
  138 18.6 186
  139 0.19 2
  143 0.5 5
  146 1.8 18
  147 0.8 8
  149 0.39 4
  152 0.6 6
  161 1.1 11
  162 8.5 85
  163 0.15 2
  167 0.5 5
  173 1.4 14
  174 0.6 6
  189 0.14 1
  190 99.99 999
  191 9.5 95
  192 0.7 7
//
