ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005878
RECORD_TITLE: PHENYL SULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀S
CH$EXACT_MASS: 186.05032
CH$SMILES: c(c2)ccc(c2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY LTYMSROWYAPPGB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8044383

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000i-4900000000-4254f29cc7f131adacca
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 2.12 21
  28 3.08 31
  38 1.16 12
  39 7.32 73
  45 3.08 31
  50 5.4 54
  51 21.97 220
  52 1.54 15
  58 1.35 14
  62 1.16 12
  63 2.89 29
  65 9.06 91
  66 2.12 21
  69 5.78 58
  74 1.93 19
  75 1.73 17
  76 1.73 17
  77 12.91 129
  78 1.16 12
  79 1.93 19
  80 1.93 19
  82 1.93 19
  84 1.35 14
  92 7.51 75
  92.5 1.73 17
  93 3.66 37
  102 1.73 17
  108 1.93 19
  109 5.59 56
  110 1.54 15
  115 2.7 27
  121 1.16 12
  139 2.12 21
  141 2.31 23
  142 1.54 15
  151 1.17 12
  152 5.97 60
  153 3.85 39
  154 2.89 29
  171 3.85 39
  183 1.73 17
  184 18.85 189
  185 46.63 466
  186 99.99 999
  187 15.61 156
  188 5.2 52
//