ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004467
RECORD_TITLE: 2-CHLORO-4-(4-FLUOROPHENYL)PYRIMIDINE; 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$NAME: 2-CHLORO-4-(4-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H6ClFN2
CH$EXACT_MASS: 208.02035
CH$SMILES: Fc(c2)ccc(c2)c(c1)nc(Cl)nc1
CH$IUPAC: InChI=1S/C10H6ClFN2/c11-10-13-6-5-9(14-10)7-1-3-8(12)4-2-7/h1-6H
CH$LINK: INCHIKEY DGTAWQNEBOGYLH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10346204
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$SPLASH: splash10-0ab9-4980000000-c748ce8778782e383786
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  32 29.5 295
  35 0.6 6
  36 2.6 26
  37 0.02 0
  38 0.8 8
  39 0.8 8
  40 2.1 21
  44 0.08 1
  45 0.4 4
  46 0.2 2
  47 0.2 2
  49 0.03 0
  49.5 0.2 2
  50 3 30
  50.5 0.2 2
  51 0.12 1
  52 1.7 17
  53 1.9 19
  56 0.3 3
  57 0.15 2
  59 0.2 2
  60 1.4 14
  61 0.5 5
  62 0.13 1
  63 1 10
  63.5 0.2 2
  64 0.3 3
  68 0.1 1
  69 1.1 11
  70 1.4 14
  71 0.4 4
  73 0.08 1
  74 2.7 27
  75 4.1 41
  76 0.9 9
  77 0.09 1
  78 0.2 2
  81 0.8 8
  82 0.2 2
  83 0.02 0
  85 0.2 2
  86 0.8 8
  87 3 30
  88 0.04 0
  89 1.1 11
  92 0.4 4
  93 1.1 11
  94 0.45 5
  95 7.1 71
  96 0.7 7
  98 0.4 4
  99 0.19 2
  100 1.8 18
  101 3 30
  102 0.4 4
  103 0.02 0
  104 0.9 9
  104.5 0.2 2
  105 0.6 6
  106 0.04 0
  107 0.4 4
  113 0.2 2
  118 0.8 8
  119 0.13 1
  120 16.5 165
  121 11.2 112
  122 2.5 25
  123 0.03 0
  124 0.2 2
  126 3.5 35
  127 0.7 7
  128 0.02 0
  132 0.2 2
  133 0.2 2
  144 0.4 4
  145 0.29 3
  146 7.6 76
  147 40.3 403
  148 4.2 42
  149 0.03 0
  153 0.2 2
  155 0.2 2
  167 0.4 4
  169 0.02 0
  171 0.8 8
  172 0.4 4
  173 42.1 421
  174 0.35 4
  175 0.2 2
  179 0.3 3
  180 0.4 4
  181 0.04 0
  182 0.2 2
  183 0.3 3
  190 0.2 2
  198 0.02 0
  199 1 10
  200 0.2 2
  207 2 20
  208 99.99 999
  209 9.6 96
  210 22.1 221
  211 1.9 19
  212 0.02 0
  222 0.3 3
//
