ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010099
RECORD_TITLE: 2,8-DIACETOXYETHYL-2,8-DIMETHYL-6-HEXYL-3,4,9,10-TETRAHYDRO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN; 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$NAME: 2,8-DIACETOXYETHYL-2,8-DIMETHYL-6-HEXYL-3,4,9,10-TETRAHYDRO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H42O6
CH$EXACT_MASS: 474.29814
CH$SMILES: C(COC(C)=O)C(O1)(CCc(c3)c1c(c2c(CCCCCC)3)CCC(CCOC(C)=O)(O2)C)C
CH$IUPAC: InChI=1S/C28H42O6/c1-6-7-8-9-10-22-19-23-11-13-27(4,15-17-31-20(2)29)34-26(23)24-12-14-28(5,33-25(22)24)16-18-32-21(3)30/h19H,6-18H2,1-5H3
CH$LINK: INCHIKEY GILZWGRFJQKHAM-UHFFFAOYSA-N
AC$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: splash10-0103-6394600000-7cae41088b39c3793430
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  26 2.14 21
  27 3.75 38
  28 19.87 199
  29 4.93 49
  32 1.69 17
  39 3.73 37
  41 12.65 127
  42 4.02 40
  43 49.67 497
  44 3.92 39
  45 1.89 19
  53 3.28 33
  55 12.31 123
  57 1.64 16
  60 1.78 18
  65 2.43 24
  67 7.4 74
  68 13.15 132
  69 7.69 77
  77 2.09 21
  79 4.58 46
  81 14.85 149
  91 1.35 14
  93 5.39 54
  94 1.35 14
  95 4.76 48
  97 2.19 22
  105 3.62 36
  107 2.41 24
  115 2 20
  117 1.62 16
  119 2.35 24
  121 3.37 34
  123 2.16 22
  128 1.75 18
  129 1.78 18
  131 2.19 22
  133 2.3 23
  135 2.58 26
  137 1.69 17
  141 1.51 15
  142 1.61 16
  143 1.56 16
  145 2.68 27
  147 5.95 60
  148 2.22 22
  149 8.35 84
  150 1.7 17
  155 1.31 13
  157 1.61 16
  159 3.51 35
  161 8.77 88
  163 2.35 24
  173 5.97 60
  174 1.76 18
  175 5.39 54
  176 1.75 18
  177 1.34 13
  185 2.19 22
  187 6.77 68
  188 2.54 25
  189 4.28 43
  193 1.53 15
  197 1.53 15
  199 2.09 21
  201 6.63 66
  203 7.83 78
  205 5.76 58
  207 3.81 38
  213 2.47 25
  215 28.52 285
  216 8.96 90
  217 7.78 78
  218 2.9 29
  219 33.7 337
  220 5.24 52
  222 1.59 16
  229 2.44 24
  231 4.47 45
  233 2 20
  243 3.54 35
  245 9.2 92
  255 1.94 19
  257 7.65 77
  258 4.03 40
  259 14.96 150
  260 3.26 33
  269 3.91 39
  271 5.02 50
  273 5.15 52
  275 3.2 32
  283 7.5 75
  284 2.22 22
  285 8.94 89
  286 13.53 135
  287 34.57 346
  288 7.18 72
  289 3.26 33
  299 2.47 25
  301 2.79 28
  303 5.61 56
  305 2.74 27
  327 2.57 26
  329 1.73 17
  343 15.87 159
  344 3.76 38
  345 3.87 39
  346 7.12 71
  347 42.52 425
  348 9.8 98
  359 2.24 22
  361 2.72 27
  385 12.2 122
  386 3.06 31
  387 3.2 32
  403 25.2 252
  404 6.14 61
  414 9.42 94
  415 3.45 35
  416 2.05 21
  430 7.09 71
  431 1.97 20
  432 8.11 81
  433 2.47 25
  472 2.91 29
  474 99.99 999
  475 30.76 308
  476 5.39 54
//
