ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008747
RECORD_TITLE: 3-(METHYLTHIO)HEXANOL; 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$NAME: 3-(METHYLTHIO)HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16OS
CH$EXACT_MASS: 148.09219
CH$SMILES: CCCC(SC)CCO
CH$IUPAC: InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY JSASXSHMJYRPCM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10866215
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$SPLASH: splash10-0a7l-9100000000-e71355bc4f59e4a54158
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  14 1.15 12
  15 3.88 39
  19 1 10
  26 1.66 17
  27 39.47 395
  28 3.96 40
  29 28.86 289
  31 43.2 432
  35 2.52 25
  38 1.56 16
  39 27.34 273
  40 3.82 38
  41 84.63 846
  42 16.98 170
  43 22.36 224
  44 14.58 146
  45 23.67 237
  46 5.11 51
  47 25.37 254
  48 10.2 102
  49 15.59 156
  50 1.58 16
  51 2.49 25
  53 9.03 90
  54 5.64 56
  55 99.99 999
  56 17.33 173
  57 66.15 662
  58 6.94 69
  59 8.63 86
  60 2.33 23
  61 73.14 731
  62 2.75 28
  63 3.39 34
  65 1.83 18
  67 33.43 334
  68 2.47 25
  69 9.66 97
  70 5.33 53
  71 16.17 162
  72 9.05 91
  73 3.82 38
  74 1.62 16
  75 63.94 639
  76 2.54 25
  77 3.84 38
  79 1.27 13
  81 5.17 52
  82 51.77 518
  83 22.14 221
  84 1.77 18
  85 2.19 22
  87 3.08 31
  88 1.08 11
  89 3.53 35
  100 8.08 81
  101 3.06 31
  102 1.4 14
  103 20.35 204
  104 1.28 13
  105 24.93 249
  106 1.52 15
  115 2.78 28
  117 1.34 13
  133 3.63 36
  148 61.69 617
  149 4.51 45
  150 2.72 27
//
