ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008417
RECORD_TITLE: 2,6-BIS(TERT-BUTYL)-4-METHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-BIS(TERT-BUTYL)-4-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O
CH$EXACT_MASS: 220.18272
CH$SMILES: Cc(c1)cc(C(C)(C)C)c(O)c1C(C)(C)C
CH$IUPAC: InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
CH$LINK: INCHIKEY NLZUEZXRPGMBCV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020216

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0a4i-8590000000-bb65eb9156b08a98eb13
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  18 3.43 34
  29 9.63 96
  39 2.31 23
  41 17.29 173
  43 3.26 33
  53 1.81 18
  55 9.89 99
  57 40.3 403
  65 1.37 14
  67 9.24 92
  69 2.78 28
  77 3.77 38
  79 3.13 31
  80 1.26 13
  81 11.8 118
  91 6.62 66
  95 6.37 64
  105 8.31 83
  115 3.71 37
  116 1.17 12
  117 1.32 13
  119 4.62 46
  121 4.21 42
  128 2.43 24
  129 2.93 29
  130 1.11 11
  131 5.1 51
  133 2.74 27
  135 1.04 10
  141 1.52 15
  142 1.44 14
  143 1.09 11
  145 16.74 167
  146 1.79 18
  147 1.88 19
  149 3.36 34
  157 0.94 9
  159 0.54 5
  161 6.34 63
  163 2.99 30
  175 1.87 19
  177 7.61 76
  189 5.27 53
  203 2.98 30
  205 99.99 999
  206 15.75 158
  207 0.38 4
  218 1.39 14
  220 25.14 251
  221 4.03 40
//