ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003035
RECORD_TITLE: BIS(2-METHYLPROPYL)DISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: BIS(2-METHYLPROPYL)DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈S₂
CH$EXACT_MASS: 178.08499
CH$SMILES: CC(C)CSSCC(C)C
CH$IUPAC: InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY ONJROLGQWMBXAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00164873

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9100000000-b8ebb5e046da1640fe5e
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  15 0.7 7
  26 0.4 4
  27 8.1 81
  28 0.3 3
  29 29.1 291
  30 0.7 7
  32 0.5 5
  33 0.01 0
  34 0.4 4
  35 0.2 2
  37 0.2 2
  38 0.05 1
  39 7.6 76
  40 1.1 11
  41 37.2 372
  42 0.23 2
  43 6.7 67
  44 0.6 6
  45 3.8 38
  46 0.01 0
  47 2.8 28
  48 0.6 6
  49 0.3 3
  50 0.03 0
  51 0.4 4
  52 0.1 1
  53 1.3 13
  54 0.09 1
  55 6.1 61
  56 4.7 47
  57 99.99 999
  58 0.44 4
  59 1.1 11
  60 0.6 6
  61 1 10
  62 0.01 0
  63 0.1 1
  64 0.5 5
  65 0.2 2
  66 0.05 1
  67 0.1 1
  68 0.1 1
  69 0.3 3
  70 0.02 0
  71 0.4 4
  72 0.2 2
  73 0.2 2
  74 0.12 1
  75 0.2 2
  76 0.2 2
  77 0.1 1
  78 0.03 0
  79 1.6 16
  80 0.2 2
  81 0.2 2
  85 0.02 0
  86 0.1 1
  87 3.7 37
  88 2.2 22
  89 0.12 1
  90 0.7 7
  91 0.4 4
  103 1 10
  104 0.06 1
  105 0.1 1
  106 0.1 1
  122 7.4 74
  123 0.05 1
  124 0.2 2
  131 0.1 1
  132 0.2 2
  145 0.02 0
  146 0.5 5
  147 0.1 1
  178 16.3 163
  179 0.18 2
  180 1.7 17
  181 0.2 2
//