ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010102
RECORD_TITLE: SQUALENE HEXAEPOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: SQUALENE HEXAEPOXIDE
CH$NAME: 2,6,10,15,19,23-HEXAMETHYL-2,6-10,14,18,22-TETRACOSAHEXAENE HEXAEPOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₅₀O₆
CH$EXACT_MASS: 506.36074
CH$SMILES: CC(C)(O1)C1CCC(O2)(C)C2CCC(C(CCC(C(CCC(O5)C5(C)CCC(O6)C(C)(C)6)(C)4)O4)3)(C)O3
CH$IUPAC: InChI=1S/C30H50O6/c1-25(2)19(31-25)11-15-29(7)23(35-29)13-17-27(5)21(33-27)9-10-22-28(6,34-22)18-14-24-30(8,36-24)16-12-20-26(3,4)32-20/h19-24H,9-18H2,1-8H3
CH$LINK: INCHIKEY PSNNHFRISFMCAD-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-054o-3920000000-b50f8f18ad18f55c81fc
PK$NUM_PEAK: 163
PK$PEAK: m/z int. rel.int.
  27 1.43 14
  41 10.12 101
  43 69.18 692
  53 1.63 16
  55 16.13 161
  59 3.51 35
  60 1.71 17
  67 4.9 49
  68 2.23 22
  69 18.55 186
  71 50.63 506
  72 2.6 26
  73 2.79 28
  77 0.71 7
  79 4.87 49
  81 16.97 170
  82 2.29 23
  83 5.01 50
  85 15.88 159
  93 10.24 102
  94 1.08 11
  95 12.09 121
  96 2.2 22
  97 7.82 78
  98 1.39 14
  99 13.1 131
  100 1.08 11
  101 1.37 14
  105 3.31 33
  106 2.64 26
  107 12.69 127
  108 10.59 106
  109 21.91 219
  110 4 40
  111 11.51 115
  112 1.08 11
  113 2.47 25
  114 1.1 11
  115 1.11 11
  117 1.92 19
  119 3.85 39
  120 1.85 19
  121 9.77 98
  122 5.33 53
  123 11.49 115
  124 10.11 101
  125 78.64 786
  126 11.98 120
  127 28.29 283
  128 2.12 21
  129 2.12 21
  131 2.92 29
  132 1.34 13
  133 5.42 54
  134 3.53 35
  135 10.4 104
  136 4.01 40
  137 16.68 167
  138 2.43 24
  139 4.47 45
  140 1.56 16
  141 3.79 38
  142 5.42 54
  143 99.99 999
  144 7.83 78
  145 5.82 58
  146 2.11 21
  147 5.11 51
  148 11.56 116
  149 15.68 157
  150 6.21 62
  151 10.41 104
  152 2.55 26
  153 10.06 101
  154 2.67 27
  155 31.32 313
  156 5.17 52
  157 3.82 38
  159 4.12 41
  160 1.1 11
  161 4.14 41
  162 4.46 45
  163 7.4 74
  164 3.97 40
  165 6.29 63
  166 1.88 19
  167 6.85 69
  168 2.44 24
  169 5.31 53
  170 3.18 32
  171 2.17 22
  173 3.94 39
  174 1.74 17
  175 4.5 45
  176 1.76 18
  177 3.43 34
  179 3.94 39
  181 2.18 22
  182 4.61 46
  183 5.37 54
  185 1.76 18
  187 1.85 19
  189 3.74 37
  191 7.27 73
  192 3.21 32
  193 5.69 57
  194 2.53 25
  195 3.77 38
  197 1.7 17
  199 2.26 23
  201 2.05 21
  203 2.69 27
  205 1.86 19
  207 3.4 34
  208 3.02 30
  209 45.26 453
  210 6.38 64
  211 7.21 72
  212 1.5 15
  213 1.83 18
  215 1.36 14
  217 2.6 26
  219 2.53 25
  221 9.74 97
  222 2.84 28
  223 2.52 25
  225 3.11 31
  226 1.89 19
  227 24.06 241
  228 4.76 48
  229 1.48 15
  231 1.43 14
  233 2.55 26
  234 6.14 61
  235 4.06 41
  236 1.98 20
  237 0.89 9
  239 4.92 49
  247 3.68 37
  248 1.47 15
  249 2.9 29
  259 1.89 19
  261 2.12 21
  277 2.34 23
  279 4.58 46
  280 2.75 28
  281 1.39 14
  301 1.11 11
  305 2.67 27
  306 1.57 16
  318 1.77 18
  319 3.91 39
  337 1.01 10
  345 2.2 22
  361 1.98 20
  363 4.37 44
  364 2.05 21
  365 1.74 17
  429 1.42 14
  446 1.45 15
  488 4.21 42
  489 1.6 16
  506 2.9 29
//