ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005068
RECORD_TITLE: 4,6-DIPHENYL-2-(PHENYLAMINO)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$NAME: 4,6-DIPHENYL-2-(PHENYLAMINO)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H17N3
CH$EXACT_MASS: 323.14225
CH$SMILES: c(c4)ccc(c4)Nc(n1)nc(c(c3)cccc3)cc1c(c2)cccc2
CH$IUPAC: InChI=1S/C22H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-22(24-20)23-19-14-8-3-9-15-19/h1-16H,(H,23,24,25)
CH$LINK: INCHIKEY VEIYBKXRSKDYON-UHFFFAOYSA-N
AC$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: splash10-00di-3219000000-a430fb749dc7c868e8b9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  39 2.4 24
  48 1.1 11
  50 1.5 15
  51 0.73 7
  52 1.6 16
  63 1.9 19
  64 1 10
  65 0.26 3
  75 1.6 16
  76 4.2 42
  77 25.4 254
  78 0.25 3
  87 1 10
  89 2.1 21
  90 3.8 38
  91 0.38 4
  92 1.7 17
  101 1.7 17
  102 7.2 72
  103 0.3 3
  104 8 80
  105 1.2 12
  116 1.8 18
  117 0.24 2
  118 3.8 38
  128 3.8 38
  129 3.8 38
  141 0.25 3
  144 1.6 16
  161 1.1 11
  162 1.8 18
  165 0.12 1
  176 1.1 11
  178 1.1 11
  189 1.1 11
  191 0.19 2
  203 1.4 14
  204 2.8 28
  205 1.2 12
  218 0.16 2
  219 3.7 37
  220 6.1 61
  244 1.4 14
  246 0.26 3
  320 1.2 12
  321 2 20
  322 99.99 999
  323 8.43 84
  324 16.5 165
  325 1.6 16
//
