ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007891
RECORD_TITLE: 5-AMINO-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$NAME: 5-AMINO-4,6-DIPHENYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃N₃
CH$EXACT_MASS: 247.11095
CH$SMILES: c(c3)ccc(c3)c(n2)c(N)c(nc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13N3/c17-14-15(12-7-3-1-4-8-12)18-11-19-16(14)13-9-5-2-6-10-13/h1-11H,17H2
CH$LINK: INCHIKEY UVAWOHSHUUQNHC-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$SPLASH: splash10-0002-2190000000-fe0064ae02154f2a84b6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  44 6.1 61
  45 1.7 17
  46 1.4 14
  48 0.3 3
  55 5.2 52
  57 4.4 44
  60 2.8 28
  62 0.13 1
  63 3.8 38
  64 1 10
  70 2.1 21
  76 0.17 2
  77 3.4 34
  82 1.2 12
  84 1.1 11
  87 0.39 4
  88 1.3 13
  89 13.3 133
  90 5.7 57
  95 0.11 1
  103 1.6 16
  104 4.9 49
  110 2 20
  114 0.16 2
  115 1.6 16
  116 6.1 61
  117 1.7 17
  118 0.11 1
  120 1.1 11
  123 2.2 22
  124 1.1 11
  129 0.11 1
  141 1.2 12
  142 1.3 13
  143 1.6 16
  149 1.44 14
  150 1.6 16
  165 2.4 24
  168 5.5 55
  170 0.13 1
  218 1.1 11
  219 3.5 35
  244 1.7 17
  245 0.14 1
  246 99.99 999
  247 72 720
  248 13.2 132
  249 1.1 11
//