ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005069
RECORD_TITLE: 2-PHENOXY-4,6-DIPHENYLPYRIMIDINE; 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$NAME: 2-PHENOXY-4,6-DIPHENYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H16N2O
CH$EXACT_MASS: 324.12626
CH$SMILES: c(c4)ccc(c4)Oc(n1)nc(c(c3)cccc3)cc1c(c2)cccc2
CH$IUPAC: InChI=1S/C22H16N2O/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)25-19-14-8-3-9-15-19/h1-16H
CH$LINK: INCHIKEY JFBGDKDDIHPIEL-UHFFFAOYSA-N
AC$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: splash10-00fr-7319000000-48a8535e880dccbeac74
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  39 7.3 73
  50 3.7 37
  51 22.6 226
  52 0.26 3
  62 1.4 14
  63 3.8 38
  64 1.6 16
  65 0.43 4
  66 1.2 12
  74 2.5 25
  75 3.8 38
  76 0.95 10
  77 76 760
  78 5.7 57
  79 1.2 12
  88 0.17 2
  89 5 50
  90 4 40
  91 1.2 12
  93 0.12 1
  101 2.5 25
  102 7.9 79
  103 4.3 43
  104 0.33 3
  114 1.6 16
  115 2.1 21
  116 5.5 55
  117 0.12 1
  118 1.2 12
  127 2.1 21
  128 3.2 32
  129 2.64 26
  130 2.6 26
  139.5 1.2 12
  140 1.7 17
  141 0.25 3
  144 1.9 19
  145 1.2 12
  151 1.2 12
  152 0.14 1
  153 1.5 15
  154 1.2 12
  162 1.5 15
  165 0.35 4
  166 1.5 15
  169 1.2 12
  176 1.2 12
  177 0.23 2
  178 1.9 19
  180 6 60
  181 1.2 12
  189 0.23 2
  190 2.4 24
  191 2.5 25
  192 1.5 15
  193 0.25 3
  203 2.9 29
  204 4.8 48
  205 1.6 16
  219 0.14 1
  220 1.2 12
  221 3.2 32
  229 1.2 12
  232 2.5 25
  239 0.59 6
  245 1.5 15
  247 8.2 82
  280 0.12 1
  282 2.6 26
  295 1.7 17
  296 1.9 19
  322 0.15 2
  323 99.99 999
  324 52 520
  325 9.7 97
//
