ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009131
RECORD_TITLE: DIOCTYL SULFIDE; 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$NAME: DIOCTYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₄S
CH$EXACT_MASS: 258.23812
CH$SMILES: CCCCCCCCSCCCCCCCC
CH$IUPAC: InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY LOXRGHGHQYWXJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1062594

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$SPLASH: splash10-052f-9100000000-a02a38c940de11e6c89e
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 23.28 233
  29 66.34 663
  30 1.21 12
  39 9.09 91
  40 2.58 26
  41 99.99 999
  42 14.89 149
  43 98.04 980
  44 3.58 36
  45 5.89 59
  46 3.38 34
  47 8.65 87
  53 4.49 45
  54 4.34 43
  55 67.98 680
  56 30.81 308
  57 42.24 422
  58 2.32 23
  59 2.48 25
  60 7.72 77
  61 33.94 339
  62 1.89 19
  63 1.97 20
  67 6.96 70
  68 8.89 89
  69 78.12 781
  70 33.11 331
  71 15.56 156
  73 2.23 22
  74 1.28 13
  75 3.37 34
  81 2.53 25
  82 7 70
  83 20.03 200
  84 16.4 164
  85 1.77 18
  87 8.67 87
  88 1.9 19
  89 4.73 47
  97 2.19 22
  101 3.27 33
  111 1.68 17
  112 20.21 202
  113 2 20
  144 4.64 46
  145 92.86 929
  146 11.78 118
  147 5.07 51
  159 5.81 58
  173 1.7 17
  201 2.02 20
  257 1.42 14
  258 9.28 93
  259 2.29 23
//