ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003555
RECORD_TITLE: 4,4'-METHYLENE BIS(2,6-DI-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$NAME: 4,4'-METHYLENE BIS(2,6-DI-TERT-BUTYLPHENOL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₄₄O₂
CH$EXACT_MASS: 424.33413
CH$SMILES: c(Cc(c2)cc(c(c2C(C)(C)C)O)C(C)(C)C)(c1)cc(c(c1C(C)(C)C)O)C(C)(C)C
CH$IUPAC: InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
CH$LINK: INCHIKEY MDWVSAYEQPLWMX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022411

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$SPLASH: splash10-0ab9-2311900000-194cc871c65693283d3a
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  29 7.41 74
  41 18.16 182
  43 4.87 49
  55 4.47 45
  57 51.63 516
  91 4.59 46
  105 2.82 28
  119 3.3 33
  121 2.81 28
  128 3.51 35
  129 4.76 48
  131 4.33 43
  133 3.18 32
  143 2.9 29
  145 6.09 61
  147 6.8 68
  153 4.1 41
  159 2.36 24
  161 7.14 71
  163 2.69 27
  169 9.4 94
  170 3.56 36
  175 4.18 42
  183 10.77 108
  185 3.01 30
  189 3.32 33
  197 19.38 194
  203 7.54 75
  216 2.47 25
  219 25.93 259
  220 4.84 48
  365 9.28 93
  366 3.05 31
  367 21.09 211
  368 6.62 66
  393 2.33 23
  395 2.97 30
  407 10.58 106
  408 5.14 51
  409 86.31 863
  410 26.07 261
  411 4.75 48
  422 7.27 73
  423 5.15 52
  424 99.99 999
  425 29.22 292
  426 5.86 59
//