ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009589
RECORD_TITLE: DIBENZOTHIOPHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: DIBENZOTHIOPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈S
CH$EXACT_MASS: 184.03467
CH$SMILES: c(c3)cc(s1)c(c3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
CH$LINK: INCHIKEY IYYZUPMFVPLQIF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047741

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-001i-1900000000-340859bcf04890563bce
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  63 1.76 18
  69 2.02 20
  74 1.37 14
  75 1.37 14
  79 5.23 52
  87 1.21 12
  89 1.22 12
  91 2.2 22
  92 8.74 87
  113 1.7 17
  114 1.35 14
  115 1.15 12
  138 1.87 19
  139 14.34 143
  140 2.44 24
  150 1.12 11
  151 1.82 18
  152 7.89 79
  153 1.16 12
  158 1.78 18
  182 2.21 22
  183 4.76 48
  184 99.99 999
  185 16.14 161
  186 6.15 62
//