ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005440
RECORD_TITLE: 1,4-BIS(MERCAPTOMETHYL)BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: 1,4-BIS(MERCAPTOMETHYL)BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10S2
CH$EXACT_MASS: 170.02239
CH$SMILES: SCc(c1)ccc(CS)c1
CH$IUPAC: InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
CH$LINK: INCHIKEY IYPNRTQAOXLCQW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059313
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f9i-5900000000-9fc870243f3910103d54
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  28 59.5 595
  32 15.4 154
  34 2.5 25
  40 0.3 3
  43 3.5 35
  44 1.7 17
  45 15.4 154
  47 0.17 2
  77 5.4 54
  78 8.5 85
  79 1.7 17
  89 0.16 2
  91 23.8 238
  92 2.7 27
  93 4.7 47
  102 0.2 2
  103 11.7 117
  104 57.4 574
  105 6.2 62
  123 0.38 4
  135 6.7 67
  136 3.3 33
  137 99.99 999
  138 0.98 10
  139 6.1 61
  170 36.8 368
  171 4.7 47
  172 4.6 46
//
