ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009490
RECORD_TITLE: 2,6-DI-TERT-BUTYL-4-METHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-DI-TERT-BUTYL-4-METHYLPHENOL
CH$NAME: 2,6-DI-TERT-BUTYL-4-CRESOL
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: CAS 128-37-0
CH$LINK: INCHIKEY NLZUEZXRPGMBCV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020216

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-3490000000-ddeff8b438c2941c327e
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  29 3.28 33
  39 1.38 14
  41 5.31 53
  43 1.16 12
  55 2.89 29
  57 12.64 126
  67 1.54 15
  77 1.76 18
  79 1.23 12
  81 2.47 25
  91 3.84 38
  95 1.8 18
  105 5.16 52
  115 2.67 27
  116 1.19 12
  117 1.43 14
  119 2.87 29
  121 2.35 24
  128 2.18 22
  129 2.38 24
  130 1.38 14
  131 2.76 28
  133 2.36 24
  135 1.3 13
  141 1.56 16
  142 1.28 13
  145 8.24 82
  146 1.25 13
  147 1.33 13
  149 1.52 15
  157 1.12 11
  159 1.32 13
  161 3.1 31
  163 1.73 17
  175 1.07 11
  177 5.5 55
  189 4.25 43
  205 99.99 999
  206 15.57 156
  207 1.37 14
//