ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009546
RECORD_TITLE: 2,4-DI-TERT-BUTYLPHENOL; 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$NAME: 2,4-DI-TERT-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O
CH$EXACT_MASS: 206.16707
CH$SMILES: Oc(c1)c(cc(c1)C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
CH$LINK: INCHIKEY ICKWICRCANNIBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026602

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$SPLASH: splash10-052f-7920000000-d2d151aecfad794a5cfa
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  29 11.53 115
  39 2.71 27
  41 24.06 241
  42 1.24 12
  43 4 40
  53 1.28 13
  55 3.7 37
  57 81.34 813
  58 3.94 39
  65 1.11 11
  67 1.22 12
  77 2.32 23
  79 1.61 16
  91 4.61 46
  103 1.04 10
  105 2.86 29
  107 2.89 29
  115 3.2 32
  116 1.12 11
  117 1.8 18
  119 2.07 21
  121 1.93 19
  127 1.08 11
  128 1.93 19
  129 1.61 16
  131 1.59 16
  133 2.09 21
  134 1.13 11
  135 2.17 22
  141 1.23 12
  145 1.21 12
  147 2.78 28
  148 1.19 12
  149 1.88 19
  153 1.11 11
  159 1.04 10
  161 2.32 23
  163 3.79 38
  165 1.25 13
  175 4.8 48
  176 2.52 25
  177 2.12 21
  179 1.05 11
  182 1.61 16
  190 8.01 80
  191 99.99 999
  192 14.95 150
  193 1.67 17
  197 1.04 10
  199 1.02 10
  205 1.15 12
  206 44.55 446
  207 9.78 98
  208 1.36 14
  209 1.05 11
//