ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005226
RECORD_TITLE: 4ABETA-ETHYLENEDIOXYMETHYL-(1BETA),6-DIMETHYL-(1ALPHA)-(4-METHYL-3-PENTENYL)-1,2,3,4,4A,7,8,8A-OCTAHYDRONAPHTHALENE-5(6H)-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4ABETA-ETHYLENEDIOXYMETHYL-(1BETA),6-DIMETHYL-(1ALPHA)-(4-METHYL-3-PENTENYL)-1,2,3,4,4A,7,8,8A-OCTAHYDRONAPHTHALENE-5(6H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₄O₃
CH$EXACT_MASS: 334.25079
CH$SMILES: CC(C)=CCCC(C)(C3)C([H])(C1)C(CC3)(C(O2)OCC2)C(=O)C(C)C1
CH$IUPAC: InChI=1S/C21H34O3/c1-15(2)7-5-10-20(4)11-6-12-21(19-23-13-14-24-19)17(20)9-8-16(3)18(21)22/h7,16-17,19H,5-6,8-14H2,1-4H3/t16?,17-,20+,21+/m0/s1
CH$LINK: INCHIKEY YXNQMYYPGYBXJH-JMCPUQKHSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00kg-9410000000-4b7f8bcb8bbf81a69577
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  39 9.8 98
  40 2 20
  41 94.2 942
  42 0.54 5
  43 30.3 303
  44 2.5 25
  45 99.99 999
  46 0.16 2
  51 1.4 14
  52 1.8 18
  53 20.3 203
  54 0.38 4
  55 66.6 666
  56 8.1 81
  57 5.9 59
  59 0.13 1
  65 7.2 72
  66 4.2 42
  67 40.8 408
  68 1.13 11
  69 93.3 933
  70 6.6 66
  71 2.7 27
  74 8.61 86
  75 13.6 136
  77 15 150
  78 3.9 39
  79 2.87 29
  80 5.9 59
  81 35.2 352
  82 12.6 126
  83 1.38 14
  84 2 20
  85 1.2 12
  87 1 10
  91 2.02 20
  92 4 40
  93 30.8 308
  94 10.2 102
  95 2.72 27
  96 4.6 46
  97 4.6 46
  98 2 20
  99 0.11 1
  100 17.2 172
  101 2.6 26
  103 1.6 16
  104 0.14 1
  105 17.1 171
  106 3.9 39
  107 19.1 191
  108 0.63 6
  109 15.1 151
  110 3.6 36
  111 4.4 44
  112 0.21 2
  113 8.4 84
  114 5.7 57
  115 2.3 23
  116 0.02 0
  117 3.4 34
  118 1.7 17
  119 10 100
  120 0.26 3
  121 10.6 106
  122 3.9 39
  123 7.8 78
  124 0.28 3
  125 9.5 95
  126 3.1 31
  127 4.4 44
  128 0.21 2
  129 2.7 27
  131 4.1 41
  132 1.2 12
  133 0.81 8
  134 4.3 43
  135 10.5 105
  136 6.7 67
  137 0.64 6
  138 2.9 29
  139 3.6 36
  140 1.3 13
  141 0.11 1
  145 3.4 34
  147 6.1 61
  148 2.8 28
  149 1.08 11
  150 3.1 31
  151 4 40
  152 1.1 11
  153 0.36 4
  155 1.8 18
  159 4.6 46
  160 1 10
  161 0.72 7
  162 3 30
  163 4.1 41
  165 1.7 17
  166 0.24 2
  167 2.8 28
  169 1.2 12
  170 1.4 14
  173 0.24 2
  174 2.7 27
  175 8.7 87
  176 4.1 41
  177 0.1 1
  178 29.5 295
  179 8.5 85
  180 1.9 19
  181 0.01 0
  182 1.6 16
  183 1.6 16
  184 1.5 15
  186 0.15 2
  187 1.4 14
  189 4.7 47
  190 1.9 19
  191 0.06 1
  192 1.3 13
  193 1.3 13
  197 5 50
  201 0.12 1
  203 1.7 17
  205 1.7 17
  217 1.5 15
  229 0.12 1
  230 1.2 12
  234 1.6 16
  242 1.1 11
  247 0.01 0
  248 2.4 24
  249 1.6 16
  250 50 500
  251 1.42 14
  252 3 30
  253 1.7 17
  256 1.5 15
  260 0.03 0
  261 2.7 27
  262 2.2 22
  263 1.4 14
  264 0.18 2
  291 1.6 16
  320 3.9 39
  334 37.6 376
  335 1.09 11
  336 2 20
//