ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004614
RECORD_TITLE: (6E,10E)-1-AETOXY-14-(1-METHYL-1,2-EPOXYETHYL)-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$NAME: (6E,10E)-1-AETOXY-14-(1-METHYL-1,2-EPOXYETHYL)-2,3-EPOXY-3,7,11-TRIMETHYLCYCLOTETRADECADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₄O₄
CH$EXACT_MASS: 362.24571
CH$SMILES: [H]C(C2)=C(C)CCC(C(C)(C3)O3)C(OC(C)=O)C(O1)C(C)(CCC([H])=C(C)C2)1
CH$IUPAC: InChI=1S/C22H34O4/c1-15-8-6-9-16(2)11-12-18(22(5)14-24-22)19(25-17(3)23)20-21(4,26-20)13-7-10-15/h9-10,18-20H,6-8,11-14H2,1-5H3/b15-10+,16-9+
CH$LINK: INCHIKEY QXVBAUUPYLTTBN-BXIATTARSA-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$SPLASH: splash10-052f-9700000000-d59af198e7171cd7176b
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  18 18 180
  29 3.6 36
  40 3.2 32
  41 0.96 10
  43 99.99 999
  44 3.6 36
  53 7 70
  55 2.88 29
  57 11.5 115
  67 24.2 242
  68 15 150
  69 2.58 26
  71 13 130
  79 13.1 131
  80 8.5 85
  81 8.15 82
  82 10.9 109
  83 25.9 259
  84 7.8 78
  85 1.02 10
  91 7 70
  92 4.1 41
  93 44.5 445
  94 0.9 9
  95 40.6 406
  96 9 90
  97 10.8 108
  98 0.32 3
  100 4.2 42
  101 5.3 53
  105 13.3 133
  106 0.82 8
  107 24.3 243
  108 28.5 285
  109 30.6 306
  110 0.55 6
  111 9.6 96
  113 3.5 35
  117 4 40
  119 1.66 17
  120 8.1 81
  121 14.8 148
  122 10.3 103
  123 1.1 11
  124 3.6 36
  125 28.8 288
  126 4 40
  131 0.59 6
  133 13.2 132
  134 10.5 105
  135 12.1 121
  136 0.53 5
  137 8.8 88
  143 3.2 32
  145 5.5 55
  146 0.33 3
  147 7.2 72
  148 7 70
  149 10.5 105
  150 0.35 4
  151 4.5 45
  159 5.9 59
  161 6.2 62
  162 0.32 3
  163 4.2 42
  173 2.2 22
  175 3.3 33
  177 0.38 4
  187 2.2 22
  189 2 20
  191 2 20
  201 0.19 2
  203 2 20
  204 1.9 19
  217 1.2 12
  219 0.13 1
  229 1.3 13
  271 0.8 8
  287 0.8 8
  289 0.07 1
  302 1.2 12
  303 0.5 5
  320 0.4 4
  362 0.15 2
  363 0.5 5
//