ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003560
RECORD_TITLE: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLALCOHOL; 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$NAME: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.17763
CH$SMILES: OCc(c1)cc(C(C)(C)C)c(O)c1C(C)(C)C
CH$IUPAC: InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
CH$LINK: INCHIKEY HNURKXXMYARGAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020211

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$SPLASH: splash10-00di-5980000000-c4903b8c014660089b1f
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  18 4.55 46
  27 2.11 21
  29 9.75 98
  39 5.23 52
  41 21.18 212
  43 5.6 56
  51 2.86 29
  53 3.15 32
  55 7.02 70
  57 28.28 283
  65 3.68 37
  67 2.33 23
  69 2.37 24
  77 7.84 78
  79 5.48 55
  80 7.94 79
  89 3.56 36
  91 15.41 154
  103 6.54 65
  105 7.63 76
  107 3.34 33
  115 7.1 71
  116 2.54 25
  117 5.51 55
  119 7.53 75
  121 6.92 69
  128 7.51 75
  129 8.42 84
  130 2.26 23
  131 10.34 103
  133 5.96 60
  134 4.48 45
  135 2.52 25
  141 2.77 28
  143 5.91 59
  145 8.02 80
  147 14.51 145
  148 2.25 23
  157 2.17 22
  159 3.35 34
  161 39.94 399
  162 8.49 85
  163 13.54 135
  173 2.04 20
  175 20.43 204
  176 6.94 69
  177 4.01 40
  189 8.88 89
  191 4.3 43
  193 7.7 77
  203 24.86 249
  204 3.83 38
  205 7.22 72
  218 18.95 190
  219 14.35 144
  220 2.58 26
  221 99.99 999
  222 15.82 158
  234 2.17 22
  236 30.31 303
  237 4.87 49
//