ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003558
RECORD_TITLE: 4,4'-THIO-BIS(3-METHYL-6-TERT-BUTYLPHENOL); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4,4'-THIO-BIS(3-METHYL-6-TERT-BUTYLPHENOL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀O₂S
CH$EXACT_MASS: 358.19665
CH$SMILES: Oc(c2)c(cc(c(C)2)Sc(c(C)1)cc(c(O)c1)C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
CH$LINK: INCHIKEY HXIQYSLFEXIOAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021341

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$SPLASH: splash10-0a4i-4809000000-d0603c5068d9326a2089
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  29 5.74 57
  39 2.55 26
  41 12.36 124
  43 8.13 81
  45 11.62 116
  55 3.9 39
  57 17.38 174
  69 6.62 66
  77 4.28 43
  79 3.11 31
  91 6.76 68
  105 4.49 45
  107 2.11 21
  109 2.62 26
  115 4.81 48
  117 2.26 23
  119 4.03 40
  121 4.26 43
  128 5.2 52
  129 5.82 58
  131 2.09 21
  133 4.59 46
  135 2.07 21
  136 24.69 247
  137 2.95 30
  139 7.51 75
  147 4.85 49
  148 2.83 28
  149 4.82 48
  150 12.7 127
  151 5.21 52
  152 2.23 22
  153 4.72 47
  161 2.95 30
  162 4.42 44
  163 2.55 26
  164 14.08 141
  165 6.27 63
  172 4.06 41
  179 11.38 114
  180 3.06 31
  195 10.16 102
  329 4.89 49
  343 33.64 336
  344 11.27 113
  345 4.14 41
  358 99.99 999
  359 23.8 238
  360 6.76 68
//