ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001604
RECORD_TITLE: TRIPHENYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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: CAS 217-59-4
CH$LINK: INCHIKEY SLGBZMMZGDRARJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059757

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-004i-1590000000-51a4cf32f02d8403b2c5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43 2.33 23
  44 1.31 13
  50 1.6 16
  51 1.75 18
  62 1.31 13
  63 2.48 25
  74 2.33 23
  75 3.79 38
  76 2.18 22
  86 1.31 13
  87 5.1 51
  88 6.71 67
  98 1.45 15
  99 4.67 47
  100 12.99 130
  101 14.01 140
  111 2.91 29
  112 18.68 187
  113 36.93 369
  114 22.18 222
  115 1.16 12
  150 1.16 12
  199 1.16 12
  200 4.08 41
  201 2.18 22
  202 3.79 38
  223 1.16 12
  224 6.71 67
  225 6.42 64
  226 28.02 280
  227 18.54 185
  228 99.99 999
  229 19.41 194
  230 2.33 23
//