ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004452
RECORD_TITLE: 2-(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$NAME: 2-(3-FLUOROPHENYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₇FN₂O
CH$EXACT_MASS: 190.05424
CH$SMILES: O=C(C=2)NC(=NC2)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C10H7FN2O/c11-8-3-1-2-7(6-8)10-12-5-4-9(14)13-10/h1-6H,(H,12,13,14)
CH$LINK: INCHIKEY ARWFGZSZTLFUEI-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$SPLASH: splash10-00dr-4900000000-24701840c4ab8ad7565d
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  49 5.8 58
  50 5.6 56
  51 3.4 34
  52 0.2 2
  53 0.7 7
  55 2 20
  55.5 0.6 6
  56 0.15 2
  57 1.8 18
  59 0.5 5
  60 4.7 47
  61 0.21 2
  62 1.3 13
  63 1.7 17
  64 0.6 6
  65 0.07 1
  67.5 1.5 15
  68 3.5 35
  68.5 0.5 5
  69 0.12 1
  70 1.6 16
  71 1.3 13
  73 1 10
  74 0.2 2
  75 11.2 112
  76 1.1 11
  81 0.3 3
  82 0.1 1
  83 2.2 22
  84 1 10
  85 1 10
  86 0.07 1
  87 0.5 5
  88 0.5 5
  91 0.7 7
  92 0.06 1
  93 0.2 2
  94 8.7 87
  95 38.4 384
  96 0.65 7
  97 0.4 4
  98 0.6 6
  99 0.5 5
  101 0.1 1
  102 0.5 5
  106 0.5 5
  107 1.4 14
  108 0.14 1
  110 0.1 1
  111 1.5 15
  113 0.5 5
  115 0.05 1
  120 1.1 11
  121 16.4 164
  122 99.99 999
  123 0.81 8
  124 0.7 7
  126 0.6 6
  130 0.6 6
  133 0.06 1
  134 1.4 14
  135 2.4 24
  136 1 10
  137 0.21 2
  138 60.2 602
  139 6.6 66
  140 0.5 5
  146 0.14 1
  147 0.5 5
  161 1 10
  162 7.3 73
  163 0.13 1
  173 0.9 9
  174 0.5 5
  189 1.4 14
  190 7.6 76
  191 8 80
  192 0.5 5
//