ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004476
RECORD_TITLE: 2-DIMETHYLAMINO-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$NAME: 2-DIMETHYLAMINO-4-(4-FLUOROPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12FN3
CH$EXACT_MASS: 217.10153
CH$SMILES: Fc(c2)ccc(c2)c(c1)nc(nc1)N(C)C
CH$IUPAC: InChI=1S/C12H12FN3/c1-16(2)12-14-8-7-11(15-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3
CH$LINK: INCHIKEY HWSMMLHOCMQSRL-UHFFFAOYSA-N
AC$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: splash10-0fe0-2930000000-e4a16aad4612739734dc
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  30 0.7 7
  31 0.3 3
  32 8.2 82
  36 0.11 1
  37 0.3 3
  38 0.4 4
  39 0.8 8
  40 0.14 1
  41 1.9 19
  42 8 80
  43 2 20
  44 3.19 32
  45 2 20
  50 1.3 13
  51 1.6 16
  52 0.15 2
  53 4.2 42
  54 0.7 7
  55 2 20
  56 0.05 1
  57 1.6 16
  58 0.2 2
  59 0.2 2
  60 0.03 0
  61 0.3 3
  62 0.5 5
  63 0.6 6
  64 0.03 0
  65 0.5 5
  66 0.3 3
  67 1 10
  68 0.05 1
  69 3 30
  70 1.8 18
  71 1.4 14
  73 0.03 0
  74 2.2 22
  75 4.6 46
  76 11 110
  77 1.16 12
  78 0.6 6
  79 2 20
  80 1.1 11
  81 0.12 1
  82 0.7 7
  83 0.7 7
  84 0.5 5
  85 0.06 1
  86 0.3 3
  87 1.7 17
  88 0.5 5
  89 0.02 0
  91 0.5 5
  92 0.5 5
  93 0.8 8
  94 0.28 3
  95 6.6 66
  96 1.1 11
  97 0.3 3
  98 0.03 0
  99 1.8 18
  100 1.5 15
  101 11.4 114
  102 0.11 1
  103 0.5 5
  104 0.3 3
  105 0.3 3
  106 0.08 1
  107 1.1 11
  108 2 20
  109 5.6 56
  110 0.01 0
  111 0.2 2
  113 0.2 2
  115 0.1 1
  116 0.02 0
  118 0.8 8
  119 1.2 12
  120 8.8 88
  121 1.59 16
  122 5.3 53
  123 0.5 5
  124 0.2 2
  125 0.02 0
  126 3.4 34
  127 0.6 6
  128 0.7 7
  129 0.03 0
  131 0.3 3
  132 0.5 5
  133 3.7 37
  134 0.08 1
  135 0.2 2
  136 0.6 6
  137 0.1 1
  138 0.02 0
  141 0.1 1
  145 1.2 12
  146 6 60
  147 1.8 18
  148 3.6 36
  149 0.5 5
  153 0.6 6
  154 0.03 0
  155 1.5 15
  156 0.7 7
  157 0.1 1
  158 0.03 0
  159 0.02 0
  160 0.5 5
  161 0.3 3
  162 0.3 3
  163 0.02 0
  165 0.2 2
  169 0.2 2
  170 1.3 13
  171 0.07 1
  172 0.5 5
  173 50.4 504
  174 34.9 349
  175 0.74 7
  176 0.8 8
  184 0.1 1
  185 0.2 2
  186 0.02 0
  187 2.5 25
  188 99.99 999
  189 11.9 119
  190 0.08 1
  198 0.1 1
  199 0.3 3
  200 0.3 3
  201 0.06 1
  202 71.2 712
  203 8.6 86
  204 0.6 6
  211 0.19 2
  214 0.3 3
  215 0.2 2
  216 8.2 82
  217 9.7 97
  218 12.9 129
  219 1 10
//
