ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005077
RECORD_TITLE: 9,11-DIPHENYLBENZO(E)PYRIMIDO(4,5-B)INDOLE; 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$NAME: 9,11-DIPHENYLBENZO(E)PYRIMIDO(4,5-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₁₇N₃
CH$EXACT_MASS: 371.14225
CH$SMILES: c(c(c(c6)cccc6)4)(c(nc(c(c5)cccc5)n4)1)c(c32)c(ccc2=CC=CC3)=N1
CH$IUPAC: InChI=1S/C26H17N3/c1-3-10-18(11-4-1)24-23-22-20-14-8-7-9-17(20)15-16-21(22)27-26(23)29-25(28-24)19-12-5-2-6-13-19/h1-13,15-16H,14H2
CH$LINK: INCHIKEY ILMXIHSUBMOWPZ-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$SPLASH: splash10-00di-0219000000-461aaa5ebf7bf57216d7
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  36 2.3 23
  44 12.2 122
  69 0.66 7
  73 1.2 12
  77 2 20
  80 1 10
  106.5 0.12 1
  107 1 10
  119.5 1 10
  120 1.4 14
  120.5 0.15 2
  131 4.9 49
  133 1.1 11
  133.5 1.1 11
  138 0.24 2
  139 1.4 14
  164 3.5 35
  165 2.2 22
  170.5 0.12 1
  171 1.9 19
  172 1.8 18
  177 1.2 12
  183 0.12 1
  183.5 1 10
  184 3.4 34
  185 21.6 216
  186 1.85 19
  189 1.2 12
  190 1 10
  213 3 30
  214 0.25 3
  215 1.3 13
  238 2.1 21
  239 2.5 25
  240 0.86 9
  241 2.5 25
  265 5.2 52
  266 12 120
  267 0.47 5
  268 1.8 18
  291 1.8 18
  292 3.2 32
  293 0.18 2
  325 18.9 189
  368 1.6 16
  369 4.8 48
  370 76.3 763
  371 99.99 999
  372 25.2 252
  373 3.2 32
//