ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005070
RECORD_TITLE: 2-CHLORO-4,6-BIS(4-METHOXYPHENYL)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$NAME: 2-CHLORO-4,6-BIS(4-METHOXYPHENYL)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H15ClN2O2
CH$EXACT_MASS: 326.08221
CH$SMILES: COc(c3)ccc(c3)c(n2)cc(nc(Cl)2)c(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C18H15ClN2O2/c1-22-14-7-3-12(4-8-14)16-11-17(21-18(19)20-16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3
CH$LINK: INCHIKEY DKOMXBVVTZTZDB-UHFFFAOYSA-N
AC$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: splash10-004i-4449000000-3b7bb1639996a3c420ba
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  32 2.5 25
  38 1.2 12
  39 5.6 56
  50 0.3 3
  51 5.1 51
  52 1.2 12
  62 3.8 38
  63 1.37 14
  64 5.2 52
  65 1.7 17
  74 1.6 16
  75 0.38 4
  76 4 40
  77 7.7 77
  78 1.4 14
  87 0.17 2
  88 3.4 34
  89 20.2 202
  90 4.7 47
  92 0.55 6
  95.5 1.2 12
  99 1 10
  101 1.9 19
  102 0.29 3
  103 2.9 29
  104 1.2 12
  113 1 10
  114 0.43 4
  115 4 40
  116 3.1 31
  117 5.1 51
  118 0.12 1
  119 1 10
  120 1.2 12
  123 1.4 14
  125 0.12 1
  126 2.3 23
  127 2.2 22
  128 1.6 16
  133 2.6 26
  134 1.4 14
  137 0.57 6
  140 1 10
  141 0.12 1
  141.5 1.4 14
  142 1 10
  143 2.1 21
  150 0.34 3
  151 2.5 25
  152 3.8 38
  153 1.7 17
  157 0.14 1
  158 3.5 35
  159 11.1 111
  163 3.8 38
  164 0.3 3
  165 1.4 14
  177 2.8 28
  178 5.3 53
  179 0.3 3
  190 3.6 36
  191 2.5 25
  192 1 10
  203 0.15 2
  204 1.4 14
  205 3.1 31
  206 2.2 22
  207 0.19 2
  216 1 10
  222 1.6 16
  233 2.6 26
  234 0.12 1
  239 2.6 26
  240 7 70
  241 1.4 14
  242 0.23 2
  248 6.1 61
  249 1.9 19
  250 1.6 16
  252 0.34 3
  253 1 10
  254 1.6 16
  261 1.4 14
  267 0.1 1
  268 3.1 31
  269 1.2 12
  270 1 10
  275 0.12 1
  276 3.2 32
  277 1 10
  282 1.2 12
  283 0.82 8
  284 1.9 19
  285 3.2 32
  291 19.1 191
  292 0.4 4
  295 3 30
  296 1.2 12
  297 1.5 15
  311 0.38 4
  312 1 10
  313 1.9 19
  325 1.3 13
  326 99.99 999
  327 20.8 208
  328 32.7 327
  329 5.6 56
//
