ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004616
RECORD_TITLE: (6E,10E)-1-ACETOXY-14-(1-HYDROXY-1-METHYLETHYL)-2,3-EPOXY-3,7,11-TRIMETHYLCYCLOTETRADECADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (6E,10E)-1-ACETOXY-14-(1-HYDROXY-1-METHYLETHYL)-2,3-EPOXY-3,7,11-TRIMETHYLCYCLOTETRADECADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₆O₄
CH$EXACT_MASS: 364.26136
CH$SMILES: [H]C(C2)=C(C)CCC(C(C)(C)O)C(OC(C)=O)C(O1)C(C)(CCC([H])=C(C)C2)1
CH$IUPAC: InChI=1S/C22H36O4/c1-15-9-7-10-16(2)12-13-18(21(4,5)24)19(25-17(3)23)20-22(6,26-20)14-8-11-15/h10-11,18-20,24H,7-9,12-14H2,1-6H3/b15-11+,16-10+
CH$LINK: INCHIKEY XXYGLMGTBAYLFD-YUCRUYSYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9540000000-8fecaec5e95b04218383
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  15 4 40
  17 7 70
  18 45.8 458
  26 0.3 3
  27 22.7 227
  28 14.4 144
  29 57 570
  30 0.38 4
  31 60.8 608
  39 7.9 79
  41 56 560
  42 1.08 11
  43 99.99 999
  44 5.6 56
  45 36.4 364
  47 0.65 7
  53 6.5 65
  55 22.2 222
  56 10.5 105
  57 5.65 57
  58 7 70
  59 77.2 772
  60 3.8 38
  61 0.41 4
  67 12.5 125
  68 22.9 229
  69 34.1 341
  70 1.1 11
  71 11.9 119
  72 3.8 38
  73 6.5 65
  74 3.16 32
  77 4.5 45
  79 20 200
  80 9.1 91
  81 6.78 68
  82 19.6 196
  83 14.1 141
  84 7.2 72
  85 1.55 16
  91 13.8 138
  92 6.9 69
  93 41.8 418
  94 1.65 17
  95 31.9 319
  96 16.3 163
  97 17.5 175
  98 1.19 12
  99 5 50
  105 15.2 152
  106 9.2 92
  107 3.59 36
  108 23.8 238
  109 37.1 371
  110 18.5 185
  111 0.91 9
  112 6.5 65
  113 3.8 38
  115 3.4 34
  117 3.18 32
  118 5.5 55
  119 32.8 328
  120 16.5 165
  121 3.66 37
  122 14.4 144
  123 19.2 192
  124 8.2 82
  125 2.15 22
  126 5 50
  127 5.1 51
  129 3.8 38
  131 0.5 5
  132 5.1 51
  133 16.9 169
  134 11.5 115
  135 3.42 34
  136 10.9 109
  137 16.5 165
  138 10 100
  139 0.61 6
  140 3.2 32
  141 15.8 158
  142 3.9 39
  145 0.88 9
  146 4.4 44
  147 21.5 215
  148 12.6 126
  149 1.55 16
  150 8.9 89
  151 9.9 99
  152 4.4 44
  153 1.58 16
  154 5 50
  155 20 200
  157 8.5 85
  159 0.74 7
  160 5 50
  161 13.9 139
  162 5.4 54
  163 0.76 8
  164 3.2 32
  165 3.3 33
  166 3.3 33
  169 0.39 4
  173 13.2 132
  174 10 100
  175 14.7 147
  176 1 10
  177 31.5 315
  178 3.7 37
  179 13.2 132
  181 0.68 7
  187 3.5 35
  188 4.5 45
  189 4.9 49
  192 0.31 3
  205 4.5 45
  209 11.2 112
  210 8.8 88
  211 1.65 17
  212 14.8 148
  213 25.5 255
  214 4 40
  215 1.62 16
  217 4.5 45
  228 3.2 32
  231 3.9 39
  232 0.38 4
  233 3.1 31
  234 3.8 38
  235 4.2 42
  255 0.38 4
  261 3.8 38
  263 3.8 38
  265 41.5 415
  266 1.9 19
  267 50.7 507
  268 49.1 491
  269 87.2 872
  270 1.49 15
  271 56.2 562
  272 4.1 41
  273 12.4 124
  275 0.41 4
  286 4.5 45
  287 4 40
  289 5.8 58
  291 0.4 4
  304 5.1 51
  311 7.8 78
  313 11.5 115
  315 0.48 5
  346 3.5 35
  347 1.2 12
  364 1.3 13
  365 0.5 5
//