ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010661
RECORD_TITLE: (1S,2S,3E,7S,8R,10E,12Z)-7-ACETOXY-8,11-EPOXYCEMBRA-3,10,12,15-TETRAEN-17,2-OLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (1S,2S,3E,7S,8R,10E,12Z)-7-ACETOXY-8,11-EPOXYCEMBRA-3,10,12,15-TETRAEN-17,2-OLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₈O₅
CH$EXACT_MASS: 372.19367
CH$SMILES: CC(=O)OC([H])(C2)C(C)(C1)OC(C(C)=C([H])CC([H])(C(=C)3)C([H])(OC(=O)3)C([H])=C(C)C2)=C([H])1
CH$IUPAC: InChI=1S/C22H28O5/c1-13-6-9-20(25-16(4)23)22(5)11-10-18(27-22)14(2)7-8-17-15(3)21(24)26-19(17)12-13/h7,10,12,17,19-20H,3,6,8-9,11H2,1-2,4-5H3/b13-12+,14-7-/t17-,19-,20-,22?/m0/s1
CH$LINK: INCHIKEY XVOSSVQHIXQCPL-AHLZJXBASA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-9821000000-39135b76e29dd9e03493
PK$NUM_PEAK: 187
PK$PEAK: m/z int. rel.int.
  40 3 30
  41 32 320
  42 3.3 33
  43 99.99 999
  44 4.7 47
  45 2.7 27
  47 2 20
  51 0.4 4
  52 2.3 23
  53 16 160
  54 4.7 47
  55 2.23 22
  56 3.3 33
  57 6.7 67
  59 1.7 17
  61 0.17 2
  63 2 20
  65 8.7 87
  66 3.3 33
  67 1.1 11
  68 2.7 27
  69 8.7 87
  70 2 20
  71 0.47 5
  77 20.7 207
  78 5.3 53
  79 16.7 167
  80 0.53 5
  81 13.3 133
  82 6 60
  83 6 60
  84 0.43 4
  85 3.3 33
  86 2 20
  91 30.7 307
  92 0.93 9
  93 16.7 167
  94 5.7 57
  95 10.7 107
  96 0.43 4
  97 4.7 47
  99 3 30
  103 3.3 33
  104 0.27 3
  105 15 150
  106 4.7 47
  107 10 100
  108 0.5 5
  109 12 120
  110 3.3 33
  111 3.3 33
  115 0.63 6
  116 3.3 33
  117 8 80
  118 3 30
  119 1.1 11
  120 6 60
  121 15 150
  122 13.3 133
  123 0.57 6
  125 2 20
  127 2.7 27
  128 4 40
  129 0.5 5
  130 2.7 27
  131 7.3 73
  132 3.7 37
  133 0.73 7
  134 4.3 43
  135 55.7 557
  136 15.3 153
  137 0.57 6
  138 1.7 17
  141 3 30
  142 2.7 27
  143 0.53 5
  144 3 30
  145 6.7 67
  146 3.3 33
  147 0.77 8
  148 14 140
  149 7 70
  150 2 20
  151 0.2 2
  155 2.7 27
  156 2 20
  157 4.3 43
  158 0.27 3
  159 6.3 63
  160 3.3 33
  161 6.7 67
  162 0.3 3
  163 3.3 33
  164 2.7 27
  165 3 30
  166 0.2 2
  167 2 20
  169 3 30
  170 2 20
  171 0.53 5
  172 2.7 27
  173 6 60
  174 2.7 27
  175 0.5 5
  176 3 30
  177 6.3 63
  178 2.7 27
  181 0.2 2
  183 4 40
  184 2 20
  185 4 40
  186 0.33 3
  187 3.7 37
  188 2 20
  189 2 20
  190 0.23 2
  191 2.7 27
  192 1.7 17
  193 1.7 17
  195 0.2 2
  197 2.3 23
  199 3.3 33
  200 3 30
  201 0.43 4
  202 2.7 27
  203 3.3 33
  204 2 20
  205 0.2 2
  207 1.7 17
  209 2.3 23
  211 2.7 27
  213 0.27 3
  214 2 20
  215 3.7 37
  216 2.3 23
  217 0.27 3
  218 2 20
  219 2.3 23
  220 1.7 17
  223 0.2 2
  225 2.3 23
  227 2.7 27
  228 2.8 28
  229 0.33 3
  230 2.3 23
  231 3 30
  232 2.3 23
  233 0.23 2
  239 2 20
  241 2.3 23
  242 1.7 17
  243 0.33 3
  244 2 20
  245 4.7 47
  246 2.3 23
  247 0.17 2
  251 2.7 27
  253 2.7 27
  254 2 20
  255 0.27 3
  256 1.7 17
  257 2 20
  262 1.7 17
  266 0.17 2
  267 1.7 17
  269 7.3 73
  270 2.7 27
  271 0.5 5
  272 1.7 17
  273 2 20
  279 2 20
  283 0.2 2
  284 3.3 33
  287 2 20
  288 1 10
  297 0.5 5
  298 1.3 13
  311 1.3 13
  312 20 200
  313 0.56 6
  314 1.3 13
  315 1 10
  329 3 30
  330 0.37 4
  331 1.3 13
  372 13.3 133
  373 3.3 33
//