ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007916
RECORD_TITLE: 4-CHLORO-2-(2-HYDROXYPHENYL)-5-PHENYLPYRIMIDINE; 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$NAME: 4-CHLORO-2-(2-HYDROXYPHENYL)-5-PHENYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H11ClN2O
CH$EXACT_MASS: 282.05599
CH$SMILES: Oc(c3)c(ccc3)c(n2)nc(Cl)c(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H11ClN2O/c17-15-13(11-6-2-1-3-7-11)10-18-16(19-15)12-8-4-5-9-14(12)20/h1-10,20H
CH$LINK: INCHIKEY LXVBVEUBEWFAIM-UHFFFAOYSA-N
AC$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: splash10-001i-2290000000-ea70300f5bc1f37d00cd
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  50 2.5 25
  51 5.1 51
  52 1.6 16
  63 0.24 2
  64 1.9 19
  65 1.3 13
  74 1.7 17
  75 0.19 2
  77 9.2 92
  78 1.1 11
  82.5 8.3 83
  83 0.69 7
  85 4.2 42
  87 1.6 16
  88 1.1 11
  89 0.11 1
  91 2.9 29
  95.5 1.7 17
  96 1.1 11
  101 0.39 4
  102 5.7 57
  103 1.5 15
  109 1.6 16
  109.5 0.11 1
  120 1.7 17
  126 1.1 11
  127 2.6 26
  128 0.92 9
  129 1.1 11
  136 6.2 62
  138 2.4 24
  139 0.11 1
  141 3.8 38
  142 1.5 15
  149 1.7 17
  153 0.11 1
  192 1.3 13
  217 1.5 15
  218 1.1 11
  219 0.19 2
  246 1.1 11
  247 13.7 137
  248 2.9 29
  254 0.32 3
  256 1.3 13
  282 99.99 999
  283 17.5 175
  284 3.29 33
  285 5.1 51
//
