ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004454
RECORD_TITLE: 6-(3-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$NAME: 6-(3-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇FN₂O
CH$EXACT_MASS: 190.05424
CH$SMILES: O=C(N2)C=C(N=C2)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C10H7FN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)
CH$LINK: INCHIKEY YWRPJIHIQQSAFE-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$SPLASH: splash10-000f-1900000000-45358e0e6514f630da60
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  51 1.1 11
  52 0.7 7
  56 0.7 7
  57 0.23 2
  60 1 10
  61 0.6 6
  62 0.8 8
  63 0.12 1
  64 0.5 5
  67.5 1.4 14
  68 5.9 59
  69 0.06 1
  70 0.6 6
  73 0.6 6
  74 1.9 19
  75 0.44 4
  76 1.1 11
  79 0.6 6
  82 0.6 6
  83 0.06 1
  85 0.7 7
  87 0.6 6
  88 0.5 5
  89 0.05 1
  91 0.5 5
  92 0.5 5
  94 3.4 34
  94.5 0.06 1
  95 9 90
  96 1.9 19
  99 1 10
  101 0.07 1
  106 0.6 6
  107 5.4 54
  108 4.7 47
  110 0.05 1
  111 1.5 15
  115 1.1 11
  120 4.9 49
  121 0.29 3
  122 22.3 223
  123 2.6 26
  125 0.5 5
  126 0.07 1
  133 0.5 5
  134 5.9 59
  135 7.4 74
  136 0.15 2
  141 0.5 5
  146 0.7 7
  147 2.1 21
  149 0.06 1
  160 0.6 6
  161 2.7 27
  162 12.2 122
  163 0.23 2
  171 2.2 22
  189 62.4 624
  190 99.99 999
  191 1.1 11
  192 0.8 8
//