ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010637
RECORD_TITLE: LOBOHEDLEOLIDE; 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$NAME: LOBOHEDLEOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆O₄
CH$EXACT_MASS: 330.18311
CH$SMILES: OC(=O)C(C2)=CCCC(C)=CC([H])(O1)C([H])(CCC(C)=CC2)C(=C)C(=O)1
CH$IUPAC: InChI=1S/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6+,14-12+,16-9+/t17-,18-/m0/s1
CH$LINK: INCHIKEY SORYERHBQFTRIK-AQJYKDKHSA-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$SPLASH: splash10-0006-9720000000-36b48a0f1282284dc92c
PK$NUM_PEAK: 223
PK$PEAK: m/z int. rel.int.
  41 99.99 999
  42 16 160
  43 57 570
  44 0.9 9
  45 29.5 295
  46 6.8 68
  50 4.5 45
  51 1.14 11
  52 6.8 68
  53 95.5 955
  54 15.9 159
  55 7.95 80
  56 15.9 159
  57 36.4 364
  58 4.5 45
  59 0.68 7
  60 20.5 205
  61 6.8 68
  63 4.5 45
  65 2.05 21
  66 11.4 114
  67 36.4 364
  68 18.2 182
  69 3.64 36
  70 11.4 114
  71 22.7 227
  72 4.5 45
  73 2.5 25
  74 6.8 68
  75 6.8 68
  76 4.5 45
  77 3.4 34
  78 9.1 91
  79 45 450
  80 15.9 159
  81 9.5 95
  82 25 250
  83 31.8 318
  84 15.9 159
  85 1.36 14
  86 4.5 45
  87 6.8 68
  91 50 500
  92 1.14 11
  93 31.8 318
  94 15.9 159
  95 25 250
  96 1.14 11
  97 16 160
  98 11.4 114
  99 6.8 68
  101 0.68 7
  102 4.5 45
  103 6.8 68
  104 3.8 38
  105 4.32 43
  106 11.4 114
  107 31.8 318
  108 11.2 112
  109 1.82 18
  110 6.8 68
  111 11.5 115
  112 4 40
  113 0.45 5
  114 4 40
  115 11.5 115
  116 6.8 68
  117 1.36 14
  118 11.5 115
  119 29.5 295
  120 16 160
  121 2.3 23
  122 11 110
  123 11.5 115
  124 9 90
  125 0.68 7
  126 4.5 45
  127 7 70
  128 6.5 65
  129 1.82 18
  130 4.5 45
  131 20.5 205
  132 6.8 68
  133 2.05 21
  134 13.6 136
  135 13.6 136
  136 11 110
  137 1.16 12
  139 4.5 45
  140 4.5 45
  141 6.8 68
  142 0.6 6
  143 11.4 114
  144 5.7 57
  145 15.9 159
  146 0.7 7
  147 20.5 205
  148 7 70
  149 22.7 227
  150 1.14 11
  151 13.6 136
  152 7 70
  153 6.8 68
  154 0.45 5
  155 6.8 68
  156 4.5 45
  157 11.4 114
  158 0.68 7
  159 14 140
  160 7 70
  161 11.4 114
  162 0.7 7
  163 18.2 182
  164 16 160
  165 9.1 91
  166 0.45 5
  167 7 70
  168 4.5 45
  169 9.1 91
  170 0.45 5
  171 9.1 91
  172 4.5 45
  173 11.4 114
  174 0.7 7
  175 11.5 115
  176 9 90
  177 11.4 114
  178 0.91 9
  179 6.8 68
  181 4.5 45
  182 3 30
  183 0.7 7
  184 3 30
  185 13.6 136
  186 9.1 91
  187 0.9 9
  188 7 70
  189 9 90
  190 7 70
  191 0.7 7
  192 7 70
  193 9.1 91
  194 4.5 45
  195 0.45 5
  196 4.5 45
  197 6.8 68
  198 4.5 45
  199 0.91 9
  200 6.9 69
  201 8 80
  202 5 50
  203 0.9 9
  204 5 50
  205 7 70
  206 4 40
  207 0.5 5
  208 3.5 35
  209 5 50
  210 4 40
  211 0.7 7
  212 4 40
  213 10 100
  214 5 50
  215 0.7 7
  216 6.8 68
  217 9.1 91
  218 6 60
  219 0.7 7
  220 3 30
  221 3 30
  222 3 30
  223 0.3 3
  224 2.5 25
  225 3 30
  226 2.5 25
  227 0.7 7
  228 7 70
  229 7 70
  230 4.5 45
  231 0.7 7
  232 4.5 45
  233 4 40
  236 2 20
  237 0.2 2
  238 4.5 45
  239 7 70
  240 4.5 45
  241 0.7 7
  242 5 50
  243 4.5 45
  244 3 30
  246 0.2 2
  247 2 20
  248 2 20
  249 2 20
  251 0.5 5
  252 4 40
  253 4.5 45
  254 4 40
  255 0.4 4
  256 11.4 114
  257 4.5 45
  262 9.1 91
  265 0.23 2
  266 6.8 68
  267 4.5 45
  268 2.3 23
  270 0.45 5
  284 15.9 159
  285 6.8 68
  286 2.3 23
  294 0.64 6
  295 2.3 23
  296 2.3 23
  297 4.5 45
  298 0.23 2
  312 25 250
  313 6.8 68
  314 2.3 23
  315 0.23 2
  330 6.8 68
  331 2 20
  332 1.5 15
//