ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004478
RECORD_TITLE: 4-DIMETHYLAMINO-2-(3-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$NAME: 4-DIMETHYLAMINO-2-(3-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12FN3
CH$EXACT_MASS: 217.10153
CH$SMILES: CN(C)c(c2)nc(nc2)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C12H12FN3/c1-16(2)11-6-7-14-12(15-11)9-4-3-5-10(13)8-9/h3-8H,1-2H3
CH$LINK: INCHIKEY MCSYTOGAMSREKT-UHFFFAOYSA-N
AC$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: splash10-01bi-1970000000-e5c6778287ee067e576c
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  67 4 40
  68 2.4 24
  69 1.1 11
  70 0.06 1
  75 2.8 28
  80 1.6 16
  81 8.4 84
  87 0.09 1
  94 2.8 28
  95 9.8 98
  96 0.6 6
  98.5 0.14 1
  100.5 1.1 11
  107.5 0.6 6
  108 5.2 52
  108.5 0.7 7
  121 5.2 52
  122 39 390
  123 1.7 17
  133 0.08 1
  136 0.9 9
  146 5.2 52
  147 4.2 42
  161 0.07 1
  173 25.9 259
  174 17.1 171
  175 3.7 37
  187 0.12 1
  188 83.2 832
  189 9.8 98
  202 49.7 497
  203 0.63 6
  204 0.5 5
  216 2.5 25
  217 99.99 999
  218 12.9 129
//
