ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004440
RECORD_TITLE: 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$NAME: 2-(3-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H7FN2
CH$EXACT_MASS: 174.05933
CH$SMILES: Fc(c2)cc(cc2)c(n1)nccc1
CH$IUPAC: InChI=1S/C10H7FN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H
CH$LINK: INCHIKEY AWFZHOCQRKLVCJ-UHFFFAOYSA-N
AC$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: splash10-00di-1900000000-10e0bf34199d3aacf20b
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  44 1.5 15
  50 1.4 14
  51 1.7 17
  52 0.2 2
  53 1.3 13
  55 0.7 7
  56 1.5 15
  57 0.08 1
  63 0.5 5
  68 0.7 7
  69 0.7 7
  70 0.13 1
  74 1 10
  75 2.8 28
  76 0.9 9
  77 0.41 4
  81 0.7 7
  83 0.5 5
  86 0.7 7
  87 0.56 6
  87.5 0.5 5
  93 1 10
  94 7 70
  95 0.43 4
  99 0.5 5
  101 0.5 5
  109 0.5 5
  113 0.09 1
  114 2.8 28
  120 1.1 11
  121 54.3 543
  122 0.74 7
  132 1 10
  146 1.7 17
  147 8.2 82
  148 0.13 1
  164 0.5 5
  173 8.4 84
  174 99.99 999
  175 0.99 10
  176 0.7 7
//
