ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009161
RECORD_TITLE: BENZENETHIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZENETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆S
CH$EXACT_MASS: 110.01902
CH$SMILES: Sc(c1)cccc1
CH$IUPAC: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY RMVRSNDYEFQCLF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026811

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-03xr-9400000000-963c74e11e0fee28cded
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 1.92 19
  27 3.94 39
  33 1.84 18
  37 4.37 44
  38 6.68 67
  39 21.5 215
  40 1.04 10
  45 12.78 128
  49 1.91 19
  50 14.54 145
  51 19.39 194
  52 1.55 16
  54 1.39 14
  55 4.12 41
  57 4.42 44
  58 5.84 58
  59 1.3 13
  61 1.72 17
  62 2.21 22
  63 5.06 51
  65 14.35 144
  66 38.72 387
  67 1.44 14
  69 15.28 153
  70 1.34 13
  71 3.06 31
  73 1.16 12
  74 4.88 49
  75 1.86 19
  76 1.4 14
  77 15.49 155
  78 2.11 21
  81 3.31 33
  82 5.02 50
  83 1.93 19
  84 18.06 181
  95 1.58 16
  108 2.7 27
  109 22.59 226
  110 99.99 999
  111 7.94 79
  112 4.39 44
//