ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004462
RECORD_TITLE: 4-(3-FLUOROPHENYL)-6-METHOXYPYRIMIDINE; 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$NAME: 4-(3-FLUOROPHENYL)-6-METHOXYPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H9FN2O
CH$EXACT_MASS: 204.06989
CH$SMILES: COc(n2)cc(nc2)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C11H9FN2O/c1-15-11-6-10(13-7-14-11)8-3-2-4-9(12)5-8/h2-7H,1H3
CH$LINK: INCHIKEY HRLQGXQHZGPTEA-UHFFFAOYSA-N
AC$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: splash10-0udi-1690000000-6fccc78a4b7eb69070d1
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  51 2.4 24
  52 1.3 13
  54 0.6 6
  56 0.16 2
  57 1.7 17
  60 2.2 22
  61 0.5 5
  62 0.07 1
  63 1 10
  63.5 2.5 25
  68 1 10
  73 0.14 1
  73.5 2 20
  74 2 20
  75 3.8 38
  78 0.06 1
  80.5 1 10
  81 1.4 14
  83 0.5 5
  87 0.1 1
  87.5 0.6 6
  92 0.7 7
  94 3.3 33
  95 0.36 4
  96 0.5 5
  98 0.5 5
  99 1.7 17
  102 0.07 1
  104 0.6 6
  107 1.4 14
  108 0.7 7
  118 0.06 1
  120 51.8 518
  121 8.7 87
  122 2.1 21
  123 0.06 1
  126 4.1 41
  127 0.6 6
  128 0.6 6
  129 0.05 1
  133 2.1 21
  134 2 20
  135 0.6 6
  146 0.24 2
  147 12.2 122
  148 10.2 102
  149 1.3 13
  155 0.06 1
  161 0.5 5
  162 0.6 6
  163 0.5 5
  173 0.89 9
  174 13.7 137
  175 15.5 155
  176 2.1 21
  177 0.07 1
  185 0.6 6
  203 75.2 752
  204 99.99 999
  205 1.14 11
  206 0.6 6
//
