ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004459
RECORD_TITLE: 4-CYANO-6-(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$NAME: 4-CYANO-6-(4-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H6FN3
CH$EXACT_MASS: 199.05458
CH$SMILES: N#Cc(n2)cc(nc2)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C11H6FN3/c12-9-3-1-8(2-4-9)11-5-10(6-13)14-7-15-11/h1-5,7H
CH$LINK: INCHIKEY XXGFPXWXJUQRRQ-UHFFFAOYSA-N
AC$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: splash10-006t-1900000000-b10df70206c3fb7b2021
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  32 3.1 31
  36 0.3 3
  37 0.3 3
  38 0.03 0
  39 0.7 7
  40 0.3 3
  41 0.2 2
  44 0.07 1
  45 0.2 2
  49 0.3 3
  50 2.7 27
  51 0.52 5
  52 0.9 9
  53 0.3 3
  56 0.2 2
  57 0.12 1
  60 2.3 23
  60.5 0.3 3
  61 0.6 6
  62 0.07 1
  63 0.9 9
  64 0.2 2
  68 0.9 9
  69 0.12 1
  70 2.1 21
  71 0.2 2
  73 0.3 3
  74 0.22 2
  75 3.4 34
  76 1 10
  77 1.2 12
  78 0.12 1
  81 0.8 8
  85 0.3 3
  86 0.9 9
  87 0.04 0
  88 0.3 3
  92 0.3 3
  93 0.9 9
  94 0.57 6
  95 3.2 32
  96 0.6 6
  98 0.3 3
  99 0.12 1
  99.5 1.5 15
  100 1.6 16
  101 0.4 4
  102 0.03 0
  104 0.3 3
  105 0.3 3
  107 0.3 3
  118 0.07 1
  119 0.9 9
  120 13.7 137
  121 13.4 134
  122 0.45 5
  123 0.4 4
  124 0.4 4
  125 0.2 2
  126 0.1 1
  127 0.3 3
  144 0.6 6
  145 32.2 322
  146 0.45 5
  147 1.2 12
  148 0.3 3
  151 0.6 6
  170 0.03 0
  171 2.6 26
  172 67.1 671
  173 7.7 77
  174 0.09 1
  180 0.3 3
  198 2.8 28
  199 99.99 999
  200 1.21 12
  201 0.6 6
//
