ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009558
RECORD_TITLE: 2,6-DI-TERT-BUTYL-1,4-BENZOQUINONE; 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$NAME: 2,6-DI-TERT-BUTYL-1,4-BENZOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₂
CH$EXACT_MASS: 220.14633
CH$SMILES: O=c(c1)cc(C(C)(C)C)c(=O)c1C(C)(C)C
CH$IUPAC: InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
CH$LINK: CAS 719-22-2
CH$LINK: INCHIKEY RDQSIADLBQFVMY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021493

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$SPLASH: splash10-00b9-8920000000-ebc9402c163c4b9965f3
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  15 3.29 33
  17 2.55 26
  18 11.82 118
  27 6.37 64
  28 27.66 277
  29 16.87 169
  32 5.89 59
  39 14.82 148
  40 3.58 36
  41 48.55 486
  42 3.28 33
  43 16.96 170
  50 1.13 11
  51 5.43 54
  52 3.15 32
  53 11.53 115
  54 2.78 28
  55 10.03 100
  56 2.58 26
  57 26.94 269
  58 1.27 13
  63 1.86 19
  65 10.85 109
  66 5.35 54
  67 41.09 411
  68 3.37 34
  69 5.22 52
  77 12.15 122
  78 3.24 32
  79 11.67 117
  80 2.35 24
  81 9.29 93
  82 2.96 30
  83 2.54 25
  91 21.83 218
  92 3.47 35
  93 8.49 85
  94 2.67 27
  95 16.73 167
  96 1.99 20
  103 3.11 31
  104 1.5 15
  105 11.35 114
  106 2.21 22
  107 12.82 128
  108 3.85 39
  109 7.62 76
  110 6.07 61
  111 1.99 20
  115 3.51 35
  116 1.4 14
  117 4.9 49
  118 1.59 16
  119 11.87 119
  120 2.43 24
  121 14.26 143
  122 4.21 42
  123 6.19 62
  124 1.43 14
  128 1.71 17
  129 2.22 22
  131 3.66 37
  132 1.13 11
  133 6.88 69
  134 4.26 43
  135 37.25 373
  136 19.95 200
  137 4.93 49
  138 3.41 34
  143 1.09 11
  144 3.25 33
  145 2.74 27
  146 1.63 16
  147 5.24 52
  148 1.81 18
  149 26.99 270
  150 7.53 75
  151 1.85 19
  159 9.66 97
  160 1.64 16
  161 4.74 47
  162 5.92 59
  163 23.75 238
  164 8.89 89
  165 3.53 35
  175 1.58 16
  176 1.8 18
  177 99.99 999
  178 14.65 147
  179 2.17 22
  187 3.16 32
  190 1.06 11
  191 3.56 36
  192 13.34 133
  193 2.15 22
  205 26.43 264
  206 4.07 41
  207 3.11 31
  220 64.68 647
  221 10.65 107
  222 2.56 26
//