ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010090
RECORD_TITLE: 2-ACETOXYETHYL-2,8-DIMETHYL-6-HEXYL-8-(2-HYDROXYETHYL)-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$NAME: 2-ACETOXYETHYL-2,8-DIMETHYL-6-HEXYL-8-(2-HYDROXYETHYL)-3,4,9,10-TETRAHYDRO-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H40O5
CH$EXACT_MASS: 432.28757
CH$SMILES: C(C3)C(Oc(c31)c(C2)c(OC(C2)(C)CCO)c(c1)CCCCCC)(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C26H40O5/c1-5-6-7-8-9-20-18-21-10-12-26(4,15-17-29-19(2)28)31-24(21)22-11-13-25(3,14-16-27)30-23(20)22/h18,27H,5-17H2,1-4H3
CH$LINK: INCHIKEY IYYCMEMGCSSERE-UHFFFAOYSA-N
AC$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: splash10-0006-5497100000-9ab788bf4322360ed523
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
  27 2.53 25
  28 11.23 112
  29 7.3 73
  32 12.47 125
  39 1.7 17
  41 20.85 209
  43 36.4 364
  53 3.8 38
  55 19.13 191
  57 6.33 63
  65 3.09 31
  67 5.14 51
  69 18.39 184
  71 2.1 21
  77 5.9 59
  79 18.25 183
  81 17.45 175
  83 9.64 96
  85 9.89 99
  91 11.2 112
  93 6.27 63
  95 5.35 54
  97 16.14 161
  98 3.13 31
  99 5.61 56
  103 1.32 13
  105 8.21 82
  107 4.84 48
  109 2.64 26
  115 3.82 38
  117 3.28 33
  119 4.84 48
  121 5.67 57
  123 4.18 42
  128 2.97 30
  129 3.45 35
  131 4.27 43
  133 5.17 52
  135 6.53 65
  137 4.95 50
  141 1.57 16
  142 1.74 17
  143 2.36 24
  145 4.04 40
  147 7.96 80
  149 8.01 80
  150 1.44 14
  151 2.54 25
  157 1.66 17
  159 4.66 47
  161 11.73 117
  162 1.41 14
  163 6 60
  165 1.33 13
  169 1.74 17
  171 2.62 26
  173 6.58 66
  175 17.09 171
  176 5.2 52
  177 5.5 55
  185 1.96 20
  187 10.99 110
  188 6.78 68
  189 17.24 172
  190 5.23 52
  191 4.73 47
  193 1.44 14
  197 1.44 14
  199 2.5 25
  201 7.55 76
  203 18.55 186
  204 2.73 27
  205 12.12 121
  207 29.43 294
  208 4.7 47
  213 2.34 23
  215 17.45 175
  216 3.75 38
  217 5.12 51
  219 24.9 249
  220 2.12 21
  221 9.75 98
  222 1.44 14
  227 2.21 22
  229 4.4 44
  231 6.16 62
  232 1.32 13
  233 18.44 184
  234 6.66 67
  235 3.23 32
  241 1.79 18
  243 5.87 59
  245 8.56 86
  247 9.64 96
  248 1.71 17
  255 2.28 23
  257 7.33 73
  258 4.96 50
  259 33.18 332
  260 7.54 75
  261 9.42 94
  262 2.01 20
  269 2.53 25
  271 13.02 130
  272 1.93 19
  273 11.34 113
  274 4.95 50
  275 6.09 61
  276 1.55 16
  277 1.26 13
  283 2.61 26
  285 3.23 32
  287 19.3 193
  288 3.8 38
  289 17.54 175
  290 3.91 39
  292 15.42 154
  293 3.77 38
  299 2.92 29
  301 8.89 89
  302 2.03 20
  303 8.21 82
  304 2.07 21
  305 14.95 150
  306 3.67 37
  313 1.51 15
  315 1.29 13
  317 3.42 34
  319 31.19 312
  320 6.61 66
  327 3.3 33
  329 1.71 17
  331 1.82 18
  332 1.59 16
  343 8.18 82
  344 3.34 33
  345 8.86 89
  346 2.87 29
  347 18.02 180
  348 4.82 48
  357 3.56 36
  361 14.48 145
  362 3.17 32
  372 2.87 29
  373 2.07 21
  375 23.05 231
  376 5.54 55
  390 99.99 999
  391 26.84 268
  392 3.78 38
  430 1.44 14
  432 46.92 469
  433 13.16 132
  434 2.32 23
//
