ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004477
RECORD_TITLE: 4-DIMETHYLAMINO-2-(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$NAME: 4-DIMETHYLAMINO-2-(4-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12FN3
CH$EXACT_MASS: 217.10153
CH$SMILES: CN(C)c(c2)nc(nc2)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C12H12FN3/c1-16(2)11-7-8-14-12(15-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
CH$LINK: INCHIKEY ZOWCHJPRKFSBHL-UHFFFAOYSA-N
AC$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: splash10-0gi9-3970000000-72b5814cbb2b843401a8
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  52 9.1 91
  53 14.1 141
  54 6.2 62
  55 0.06 1
  57 0.9 9
  66 0.9 9
  67 5.9 59
  68 0.35 4
  69 1.8 18
  70 0.9 9
  73 0.7 7
  75 0.36 4
  80 2.2 22
  81 7.3 73
  83 0.7 7
  87 0.3 3
  87.5 0.7 7
  94 3.7 37
  95 11.8 118
  96 0.1 1
  98.5 0.7 7
  100.5 1.4 14
  101 0.6 6
  102 0.14 1
  108 4.9 49
  108.5 9.6 96
  109 0.6 6
  121 0.74 7
  122 35.7 357
  123 4.2 42
  133 1.6 16
  134 0.05 1
  148 1 10
  161 0.9 9
  173 36.2 362
  174 2.05 21
  175 3.6 36
  187 1.3 13
  188 92.7 927
  189 1 10
  190 1.3 13
  202 47.6 476
  203 6.7 67
  204 0.05 1
  216 2.6 26
  217 99.99 999
  218 13.8 138
  219 0.7 7
//
