ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004460
RECORD_TITLE: 2-CYANO-4-(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$NAME: 2-CYANO-4-(4-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H6FN3
CH$EXACT_MASS: 199.05458
CH$SMILES: N#Cc(n2)nc(cc2)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C11H6FN3/c12-9-3-1-8(2-4-9)10-5-6-14-11(7-13)15-10/h1-6H
CH$LINK: INCHIKEY AVDFWALSDCMETF-UHFFFAOYSA-N
AC$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: splash10-0002-2900000000-4539123228d031c72156
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  27 1.4 14
  28 5.2 52
  29 0.3 3
  31 0.07 1
  32 1.2 12
  36 0.3 3
  37 0.4 4
  38 0.07 1
  39 0.8 8
  40 0.3 3
  41 0.3 3
  42 0.03 0
  43 0.3 3
  44 0.7 7
  45 0.3 3
  46 0.04 0
  49 0.6 6
  50 2.9 29
  51 1.3 13
  52 0.26 3
  53 1.4 14
  55 0.3 3
  56 0.4 4
  57 0.17 2
  60 2 20
  61 0.6 6
  62 0.8 8
  63 0.12 1
  64 0.6 6
  68 1.2 12
  69 1.2 12
  70 0.22 2
  73 0.4 4
  74 2.7 27
  75 2.9 29
  76 0.09 1
  77 1.1 11
  78 2.6 26
  79 0.3 3
  80 0.03 0
  81 1.1 11
  82 0.3 3
  83 0.2 2
  86 0.03 0
  87 0.4 4
  88 0.3 3
  90 0.3 3
  91 0.03 0
  92 0.4 4
  93 1.3 13
  94 6.4 64
  95 0.29 3
  96 0.6 6
  97 0.3 3
  98 0.8 8
  99 0.17 2
  100 2.3 23
  101 0.8 8
  102 0.3 3
  103 0.02 0
  104 0.3 3
  105 0.3 3
  106 0.3 3
  107 0.03 0
  118 0.4 4
  119 1.2 12
  120 16.3 163
  121 1.75 18
  122 1.8 18
  126 1.5 15
  127 0.6 6
  128 0.03 0
  129 0.3 3
  134 0.7 7
  144 0.4 4
  145 0.29 3
  146 4.9 49
  147 51.9 519
  148 3.3 33
  149 0.04 0
  151 0.3 3
  152 0.3 3
  153 0.2 2
  156 0.02 0
  158 0.4 4
  159 1.5 15
  160 0.3 3
  170 0.03 0
  171 2.2 22
  172 3.7 37
  173 1.7 17
  174 0.03 0
  179 0.3 3
  180 0.7 7
  181 0.7 7
  188 0.03 0
  198 7.4 74
  199 99.99 999
  200 12.3 123
  201 0.06 1
  208 0.3 3
  213 0.2 2
//
