ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005692
RECORD_TITLE: 3,5-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$NAME: 3,5-DI-TERT-BUTYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O
CH$EXACT_MASS: 206.16707
CH$SMILES: Oc(c1)cc(cc1C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
CH$LINK: CAS 1138-52-9
CH$LINK: COMPTOX DTXSID3061558
CH$LINK: INCHIKEY ZDWSNKPLZUXBPE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:70825
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$SPLASH: splash10-052f-4920000000-27f6ecb662543f1b6f8d
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  15 0.86 9
  18 0.81 8
  27 1.59 16
  28 0.87 9
  29 4.92 49
  39 2.62 26
  40 0.35 4
  41 9.63 96
  42 0.5 5
  43 0.94 9
  51 1.04 10
  52 0.33 3
  53 1.12 11
  55 2.1 21
  57 32.14 321
  58 1.53 15
  65 1.48 15
  66 0.85 9
  67 0.64 6
  73 1.36 14
  74 1.87 19
  77 2.83 28
  78 0.75 8
  79 1.55 16
  80 0.33 3
  87 0.21 2
  88 1.63 16
  89 0.5 5
  90 0.19 2
  91 4.26 43
  92 0.48 5
  93 0.5 5
  94 0.42 4
  95 0.97 10
  102 0.31 3
  103 1.16 12
  104 0.35 4
  105 2.16 22
  106 0.37 4
  107 4.12 41
  108 0.55 6
  109 0.32 3
  115 2.24 22
  116 0.86 9
  117 1.25 13
  118 0.34 3
  119 1.44 14
  120 0.53 5
  121 1.98 20
  122 0.26 3
  127 0.59 6
  128 0.86 9
  129 0.59 6
  130 0.23 2
  131 1.3 13
  132 0.65 7
  133 1.98 20
  134 0.71 7
  135 3.8 38
  136 0.38 4
  145 0.7 7
  146 0.43 4
  147 2.91 29
  148 0.73 7
  149 0.98 10
  150 0.17 2
  161 1.12 11
  162 0.21 2
  163 3.41 34
  164 0.67 7
  175 1.39 14
  176 0.5 5
  177 0.47 5
  190 0.35 4
  191 99.99 999
  192 15.45 155
  193 1.31 13
  206 36.25 363
  207 5.74 57
  208 0.5 5
//
