ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009130
RECORD_TITLE: METHYL OCTYL 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$NAME: METHYL OCTYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀S
CH$EXACT_MASS: 160.12857
CH$SMILES: CCCCCCCCSC
CH$IUPAC: InChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY AHCJTMBRROLNHV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00190470

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$SPLASH: splash10-08fu-9100000000-e7b593934290979d6169
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  15 2.47 25
  26 2.12 21
  27 43.15 432
  28 5.62 56
  29 45.3 453
  30 1.09 11
  35 7.55 76
  39 23.93 239
  40 4.06 41
  41 86.83 868
  42 31.54 315
  43 51.54 515
  44 1.86 19
  45 12.25 123
  46 7.81 78
  47 18.5 185
  48 38.56 386
  49 17.8 178
  50 2.29 23
  51 1.83 18
  53 6.48 65
  54 5.09 51
  55 58.14 581
  56 57.83 578
  57 21.79 218
  58 2.1 21
  59 4.77 48
  60 2.58 26
  61 99.99 999
  62 12.28 123
  63 4.86 49
  65 1.45 15
  67 5.18 52
  68 9.93 99
  69 45.19 452
  70 46.63 466
  71 8.72 87
  73 1.68 17
  74 1.74 17
  75 12.52 125
  76 3.78 38
  77 1.28 13
  81 1.19 12
  82 5.21 52
  83 28.4 284
  84 26.35 264
  85 2.34 23
  87 1.28 13
  89 3.24 32
  97 2.94 29
  103 11.24 112
  112 7.26 73
  117 2 20
  131 2.02 20
  145 44.59 446
  146 4.02 40
  147 1.94 19
  159 4.09 41
  160 47.75 478
  161 4.71 47
  162 2.27 23
//