ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011279
RECORD_TITLE: TRIPHENYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TRIPHENYLENE
CH$NAME: 9,10-BENZOPHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₂
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c(c4)1)c(c3)c(ccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
CH$LINK: INCHIKEY SLGBZMMZGDRARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059757

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-004i-0190000000-1333b8e7d67faf2be6d4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 1.2 12
  87 1.16 12
  88 1.31 13
  100 2.72 27
  101 3.45 35
  112 3.13 31
  113 8.19 82
  114 7.09 71
  115 1.36 14
  200 3.09 31
  201 1.63 16
  202 3.14 31
  224 4.89 49
  225 4.1 41
  226 22.26 223
  227 11.72 117
  228 99.99 999
  229 19.33 193
  230 1.87 19
//