ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010654
RECORD_TITLE: (10E,14E)-6,7-EPOXY-6,10,14-TRIMETHYL-3-METHYLENE-3A,6,7,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA(B)FURAN-2(3H),5(4H)-DIONE; 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$NAME: (10E,14E)-6,7-EPOXY-6,10,14-TRIMETHYL-3-METHYLENE-3A,6,7,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA(B)FURAN-2(3H),5(4H)-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆O₄
CH$EXACT_MASS: 330.18311
CH$SMILES: [H]C(C2)=C(C)CCC(O1)C(C)(C(=O)CC(C(=C)3)C(OC(=O)3)C([H])=C(C)C2)1
CH$IUPAC: InChI=1S/C20H26O4/c1-12-6-5-7-13(2)10-16-15(14(3)19(22)23-16)11-17(21)20(4)18(24-20)9-8-12/h6,10,15-16,18H,3,5,7-9,11H2,1-2,4H3/b12-6-,13-10-
CH$LINK: INCHIKEY JIXLTZWMNACINB-HVZNDUSUSA-N

AC$INSTRUMENT: HITACHI
AC$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$SPLASH: splash10-0006-9610000000-3f80c2baba93f73d50cb
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
  40 6 60
  41 51 510
  42 5 50
  43 99.99 999
  44 4 40
  51 5.5 55
  52 6.5 65
  53 7.61 76
  54 9 90
  55 53.5 535
  56 4 40
  57 0.6 6
  65 6 60
  66 5 50
  67 39 390
  68 4.1 41
  69 19.5 195
  70 3 30
  71 12.5 125
  72 0.3 3
  77 20 200
  78 6 60
  79 31.5 315
  80 1.25 13
  81 56 560
  82 18 180
  83 21 210
  84 1.3 13
  85 17 170
  91 23 230
  92 8.3 83
  93 3.9 39
  94 14 140
  95 42 420
  96 11.5 115
  97 0.95 10
  98 4 40
  99 5 50
  103 4 40
  105 2.65 27
  106 7 70
  107 22 220
  108 18 180
  109 2.6 26
  110 12 120
  111 14 140
  112 4 40
  113 0.6 6
  117 5 50
  118 4 40
  119 17 170
  120 0.9 9
  121 19 190
  122 9 90
  123 15 150
  124 0.5 5
  125 4 40
  131 6 60
  132 4 40
  133 1.6 16
  134 12 120
  135 15 150
  136 23.5 235
  137 3.1 31
  138 21 210
  139 4 40
  145 7 70
  146 0.5 5
  147 14 140
  148 9 90
  149 14 140
  150 1.5 15
  151 13 130
  152 5 50
  153 4.5 45
  159 0.7 7
  160 5 50
  161 8 80
  162 12 120
  163 1 10
  164 13 130
  165 38 380
  166 6 60
  173 0.4 4
  175 9 90
  176 7 70
  177 8 80
  178 1.5 15
  179 5.5 55
  187 3 30
  189 4 40
  190 0.3 3
  191 7 70
  192 4 40
  193 4 40
  200 0.11 1
  201 3.5 35
  202 3 30
  203 5 50
  204 0.31 3
  205 4.1 41
  206 2 20
  207 1.9 19
  208 0.1 1
  209 1.3 13
  211 1 10
  213 2.6 26
  214 0.19 2
  215 3.1 31
  216 3.3 33
  217 3.9 39
  218 0.34 3
  219 5.1 51
  220 3 30
  221 2.3 23
  222 0.11 1
  223 1.3 13
  227 1.7 17
  228 2.1 21
  229 0.26 3
  230 2 20
  231 3 30
  232 2.3 23
  233 0.16 2
  234 1.2 12
  236 1.4 14
  241 2.3 23
  242 0.14 1
  243 1.3 13
  244 1.6 16
  245 2.3 23
  246 0.14 1
  247 2 20
  248 1.1 11
  249 1.7 17
  251 0.1 1
  255 1 10
  256 1.2 12
  257 1 10
  258 0.1 1
  259 7.2 72
  260 2.8 28
  262 2.1 21
  269 0.29 3
  270 1.3 13
  284 1.6 16
  285 1.1 11
  287 0.22 2
  294 0.8 8
  297 1.1 11
  312 2.9 29
  313 0.16 2
  315 1 10
  330 4 40
  331 1.6 16
//