ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010655
RECORD_TITLE: (10E,14E)-5-ACETOXY-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$NAME: (10E,14E)-5-ACETOXY-6,7-EPOXY-6,10,14-TRIMETHYL-3-METHYLENE-3A,6,7,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA(B)FURAN-2(3H),5(4H)-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀O₅
CH$EXACT_MASS: 374.20932
CH$SMILES: CC(=O)OC(C2)C(C)(O1)C(CCC(C)=C([H])CCC(C)=C([H])C(O3)C(C(=C)C(=O)3)2)1
CH$IUPAC: InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-18-17(15(3)21(24)26-18)12-20(25-16(4)23)22(5)19(27-22)10-9-13/h7,11,17-20H,3,6,8-10,12H2,1-2,4-5H3/b13-7-,14-11-
CH$LINK: INCHIKEY VAIRPKPEPRJXML-NHBSDZJZSA-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$SPLASH: splash10-0006-9820000000-1c3fe8be223558e4f976
PK$NUM_PEAK: 224
PK$PEAK: m/z int. rel.int.
  41 35 350
  42 4.5 45
  43 99.99 999
  44 0.7 7
  45 9 90
  46 1 10
  51 4 40
  52 0.55 6
  53 26 260
  54 5 50
  55 42 420
  56 0.4 4
  57 11 110
  58 1.5 15
  59 1 10
  60 0.7 7
  62 1.5 15
  64 2 20
  65 9 90
  66 0.35 4
  67 24.5 245
  68 12 120
  69 16.5 165
  70 0.3 3
  71 12.5 125
  72 1 10
  73 3 30
  74 0.2 2
  75 1 10
  76 2 20
  77 23 230
  78 0.5 5
  79 28 280
  80 7 70
  81 68 680
  82 1.2 12
  83 13 130
  84 9 90
  85 6 60
  86 0.2 2
  87 3 30
  89 2 20
  90 1 10
  91 3.1 31
  92 8 80
  93 37 370
  94 11 110
  95 2.4 24
  96 6 60
  97 10 100
  98 4 40
  99 0.3 3
  103 4 40
  104 2 20
  105 24 240
  106 0.8 8
  107 19.5 195
  108 10.1 101
  109 18 180
  110 0.75 8
  111 15 150
  112 3 30
  113 4 40
  114 0.2 2
  115 11 110
  116 3.5 35
  117 11 110
  118 0.51 5
  119 19 190
  120 7.5 75
  121 17.5 175
  122 0.8 8
  123 10 100
  124 4 40
  125 5 50
  126 0.3 3
  127 4 40
  128 7.5 75
  129 9.5 95
  130 0.5 5
  131 15 150
  132 6 60
  133 18 180
  134 0.8 8
  135 11.5 115
  136 6.5 65
  137 8 80
  138 0.45 5
  139 3.5 35
  140 2 20
  141 10 100
  142 0.5 5
  143 9 90
  144 4 40
  145 12 120
  146 0.6 6
  147 11.5 115
  148 5.5 55
  149 11 110
  150 0.7 7
  151 10 100
  152 5 50
  153 4 40
  155 0.6 6
  156 3.5 35
  157 9 90
  158 5 50
  159 1.5 15
  160 5 50
  161 9 90
  162 6 60
  163 0.7 7
  164 5.5 55
  165 6 60
  166 3 30
  167 0.7 7
  168 4 40
  169 7.5 75
  170 5.5 55
  171 0.8 8
  172 3 30
  173 7 70
  174 4 40
  175 0.8 8
  176 4 40
  177 5.1 51
  178 4.5 45
  179 0.4 4
  181 5 50
  183 5 50
  185 6 60
  186 0.5 5
  187 13.5 135
  188 5 50
  189 6.5 65
  190 0.4 4
  191 5 50
  195 5 50
  197 4.5 45
  198 0.3 3
  199 4 40
  200 2.9 29
  201 4.6 46
  202 0.39 4
  203 9.4 94
  204 4.6 46
  205 4.7 47
  206 0.25 3
  207 2.1 21
  208 3 30
  209 3.6 36
  210 0.21 2
  211 3.5 35
  212 2.1 21
  213 3.8 38
  214 0.2 2
  215 7.1 71
  216 3.1 31
  217 3.1 31
  218 0.21 2
  219 3.6 36
  220 1.8 18
  221 3.1 31
  222 0.14 1
  223 1.8 18
  224 1.4 14
  225 2.8 28
  226 0.18 2
  227 2.5 25
  228 2.5 25
  229 4.6 46
  230 0.29 3
  231 4.4 44
  232 2.1 21
  233 4.4 44
  234 0.14 1
  235 2.1 21
  236 1.1 11
  237 1.1 11
  238 0.1 1
  239 1.4 14
  240 1.5 15
  241 2.4 24
  242 0.18 2
  243 2.4 24
  244 1.4 14
  245 1.4 14
  246 0.38 4
  247 9.9 99
  248 2.4 24
  249 1.4 14
  250 0.14 1
  251 1.8 18
  252 1.4 14
  253 2.1 21
  254 0.11 1
  255 1.1 11
  256 1.4 14
  257 2.1 21
  258 0.14 1
  259 1.3 13
  260 1 10
  262 7.9 79
  263 0.24 2
  264 1.1 11
  267 1.1 11
  268 2.1 21
  269 0.18 2
  270 1.4 14
  271 2.5 25
  272 1.4 14
  281 0.21 2
  285 1.1 11
  286 1.4 14
  296 28 280
  297 0.13 1
  299 1.8 18
  314 3.5 35
  315 4.2 42
  316 0.14 1
  331 0.8 8
  332 1.4 14
  374 3.6 36
  375 1.1 11
//