ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004981
RECORD_TITLE: BIS(PHENYLTHIO)METHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BIS(PHENYLTHIO)METHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂S₂
CH$EXACT_MASS: 232.03804
CH$SMILES: c(c2)ccc(c2)SCSc(c1)cccc1
CH$IUPAC: InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
CH$LINK: INCHIKEY ZHUPZVIALZHGGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20189083

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00dj-9500000000-35a6fbcd5f2ede607099
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  45 82.73 827
  46 2.84 28
  47 4.08 41
  50 5.88 59
  51 26.82 268
  52 2.21 22
  58 1.51 15
  63 2.75 28
  65 13.71 137
  66 2.5 25
  69 6.61 66
  77 25.38 254
  78 3.63 36
  79 10.49 105
  82 1.71 17
  91 4.12 41
  97 1.52 15
  108 2.32 23
  109 9.79 98
  110 3.24 32
  121 3.13 31
  123 99.99 999
  124 8.46 85
  125 4.73 47
  232 10.78 108
  233 1.64 16
//