ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008172
RECORD_TITLE: 9H-THIOXANTHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 9H-THIOXANTHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀S
CH$EXACT_MASS: 198.05032
CH$SMILES: c(c3)cc(C1)c(c3)Sc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
CH$LINK: CAS 261-31-4
CH$LINK: INCHIKEY PQJUJGAVDBINPI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20180732

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0002-0900000000-cf046d3bcf84017b5311
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 2.1 21
  45 1.22 12
  50 0.91 9
  51 0.95 10
  63 2.38 24
  69 2.3 23
  89 1.05 11
  121 1.03 10
  139 1.47 15
  151 1.08 11
  152 5.08 51
  153 2.55 26
  163 2.56 26
  164 1.74 17
  165 17.14 171
  166 2.53 25
  171 3.3 33
  195 3.51 35
  196 1.54 15
  197 90.1 901
  198 99.99 999
  199 19.47 195
  200 5.96 60
  201 0.77 8
//