ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010645
RECORD_TITLE: (1S,2R,3E,7E,11E)-2,17-DIACETOXYCEMBRA-3,7,11,15-TETRAENE; 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$NAME: (1S,2R,3E,7E,11E)-2,17-DIACETOXYCEMBRA-3,7,11,15-TETRAENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₆O₄
CH$EXACT_MASS: 388.26136
CH$SMILES: CC(=O)OCC(=C)C([H])(C1)C([H])(OC(C)=O)C([H])=C(C)CCC([H])=C(C)CCC([H])=C(C)C1
CH$IUPAC: InChI=1S/C24H36O4/c1-17-9-7-11-18(2)13-14-23(20(4)16-27-21(5)25)24(28-22(6)26)15-19(3)12-8-10-17/h10-11,15,23-24H,4,7-9,12-14,16H2,1-3,5-6H3/b17-10+,18-11+,19-15+/t23-,24+/m0/s1
CH$LINK: INCHIKEY YBPOQSGQBJVMKO-JKQBEOCRSA-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$SPLASH: splash10-000x-9810000000-a17f9d1fbea8a9a47334
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  41 26 260
  42 3.3 33
  43 99.99 999
  44 0.33 3
  45 1.6 16
  53 11.5 115
  54 3.3 33
  55 2.95 30
  56 4.9 49
  57 8.2 82
  65 4.9 49
  66 0.33 3
  67 22.9 229
  68 27.8 278
  69 13.1 131
  70 0.16 2
  71 4.9 49
  77 11.5 115
  78 4.9 49
  79 2.62 26
  80 9.8 98
  81 39.3 393
  82 8.2 82
  83 1.15 12
  84 37.7 377
  85 6.6 66
  91 24.6 246
  92 0.98 10
  93 32.8 328
  94 9.8 98
  95 14.8 148
  96 0.82 8
  97 6.6 66
  105 19.7 197
  106 11.5 115
  107 2.62 26
  108 13.1 131
  109 16.4 164
  110 6.6 66
  111 0.33 3
  117 8.2 82
  118 4.9 49
  119 39.3 393
  120 0.98 10
  121 19.7 197
  122 8.2 82
  123 6.6 66
  124 0.16 2
  125 1.6 16
  126 4.9 49
  127 3.3 33
  128 0.16 2
  129 1.6 16
  131 8.2 82
  132 14.8 148
  133 2.62 26
  134 29.5 295
  135 31.1 311
  136 8.2 82
  137 0.49 5
  138 1.6 16
  143 3.3 33
  144 1.6 16
  145 1.48 15
  146 6.6 66
  147 11.5 115
  148 4.9 49
  149 0.82 8
  150 3.3 33
  156 3.3 33
  157 8.2 82
  158 0.49 5
  159 16.4 164
  160 6.6 66
  161 8.2 82
  162 0.49 5
  163 3.3 33
  171 3.3 33
  172 1.6 16
  173 0.66 7
  174 4.9 49
  175 6.6 66
  176 3.3 33
  177 0.82 8
  178 1.6 16
  179 1.6 16
  185 6.6 66
  186 0.33 3
  187 11.5 115
  188 3.3 33
  189 4.9 49
  197 0.33 3
  198 1.6 16
  199 3.3 33
  200 3.3 33
  201 0.49 5
  202 8.2 82
  203 3.3 33
  204 1.6 16
  205 0.16 2
  211 3.3 33
  212 2.5 25
  213 3.3 33
  214 0.16 2
  215 1.6 16
  225 2.5 25
  226 1.6 16
  227 0.16 2
  239 1.6 16
  240 1.6 16
  253 6.6 66
  254 0.16 2
  255 3.3 33
  269 14.8 148
  270 4.9 49
  271 0.16 2
  285 1.6 16
  286 4.9 49
  287 1.6 16
  313 0.16 2
  314 1 10
  315 1 10
  328 8.2 82
  329 0.25 3
  346 1 10
  388 4.9 49
  389 1.6 16
//