ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003661
RECORD_TITLE: DEOXYSERICEALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DEOXYSERICEALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀O₄
CH$EXACT_MASS: 276.13616
CH$SMILES: COC(=O)C(=C)C(C1)C(C)(C=C)CC(O2)C(=C(C)C(=O)2)1
CH$IUPAC: InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3
CH$LINK: INCHIKEY ODNZGWQSPYLHGS-UHFFFAOYSA-N

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9500000000-30e6dd1b946699f0f7b7
PK$NUM_PEAK: 211
PK$PEAK: m/z int. rel.int.
  15 12.8 128
  17 2.6 26
  18 9.3 93
  26 0.26 3
  27 34.6 346
  28 28 280
  29 28 280
  30 0.22 2
  31 15.1 151
  32 6.2 62
  39 49.3 493
  40 1.11 11
  41 72.8 728
  42 8.8 88
  43 99.99 999
  44 0.75 8
  45 14.2 142
  50 4.9 49
  51 19.5 195
  52 1.11 11
  53 59.5 595
  54 13.7 137
  55 43.1 431
  56 0.57 6
  57 12.4 124
  58 11.5 115
  59 36.4 364
  60 0.22 2
  61 0.8 8
  62 1.3 13
  63 9.3 93
  64 0.08 1
  65 31.1 311
  66 9.3 93
  67 37.7 377
  68 2.26 23
  69 36.4 364
  70 6.2 62
  71 19.5 195
  72 0.26 3
  73 3.1 31
  74 5.3 53
  75 3.1 31
  76 0.17 2
  77 53.5 535
  78 14.2 142
  79 41.3 413
  80 1.11 11
  81 37.7 377
  82 20 200
  83 15.5 155
  84 0.66 7
  85 11.1 111
  86 2.6 26
  87 5.7 57
  88 0.08 1
  89 4 40
  90 1.3 13
  91 86.6 866
  92 0.2 2
  93 49.3 493
  94 12.4 124
  95 36.4 364
  96 1.11 11
  97 12.8 128
  98 5.7 57
  99 8.8 88
  100 0.22 2
  101 2.2 22
  102 2.2 22
  103 9.7 97
  104 0.53 5
  105 43.1 431
  106 10.6 106
  107 34.6 346
  108 1.42 14
  109 28.4 284
  110 20.8 208
  111 11.5 115
  112 0.93 9
  113 6.2 62
  114 2.2 22
  115 12.4 124
  116 0.53 5
  117 11.5 115
  118 5.3 53
  119 36 360
  120 3.33 33
  121 48.8 488
  122 13.3 133
  123 17.7 177
  124 0.88 9
  125 8.4 84
  126 5.3 53
  127 5.7 57
  128 0.88 9
  129 8.8 88
  130 3.5 35
  131 13.7 137
  132 0.75 8
  133 21.3 213
  134 8.8 88
  135 18.6 186
  136 0.93 9
  137 12 120
  138 4.4 44
  139 4.4 44
  140 0.26 3
  141 4.4 44
  142 3.5 35
  143 8 80
  144 0.35 4
  145 12.4 124
  146 4.8 48
  147 22 220
  148 2.88 29
  149 26 260
  150 7.5 75
  151 12 120
  152 0.75 8
  153 6.2 62
  154 2.2 22
  155 3.1 31
  156 0.22 2
  157 5.3 53
  158 3.1 31
  159 16 160
  160 0.75 8
  161 15.5 155
  162 8.8 88
  163 11.1 111
  164 1.33 13
  165 12 120
  166 4.4 44
  167 3.1 31
  168 0.13 1
  169 2.2 22
  170 1.7 17
  171 8 80
  172 0.31 3
  173 8 80
  174 4 40
  175 12 120
  176 0.35 4
  177 21.3 213
  178 4.9 49
  179 15.5 155
  180 0.44 4
  181 2.2 22
  183 2.2 22
  185 3.1 31
  186 0.22 2
  187 7.1 71
  188 5.3 53
  189 9.7 97
  190 0.44 4
  191 4.4 44
  192 3.1 31
  193 5.7 57
  194 0.13 1
  195 1.3 13
  196 0.4 4
  197 1.3 13
  198 0.31 3
  199 8.8 88
  200 3.1 31
  201 5.3 53
  202 0.08 1
  203 8 80
  204 4.4 44
  205 3.5 35
  206 0.22 2
  207 2.6 26
  208 4.8 48
  209 2.6 26
  214 0.26 3
  215 4.4 44
  216 9.7 97
  217 8.8 88
  218 0.04 0
  219 2.6 26
  220 3.5 35
  221 2.2 22
  222 0.13 1
  223 1.7 17
  224 1.3 13
  225 1.3 13
  226 0.13 1
  227 1.3 13
  228 1.3 13
  229 1.3 13
  230 0.13 1
  231 1.3 13
  232 1.3 13
  233 3.1 31
  243 0.13 1
  244 12 120
  245 6.6 66
  246 4 40
  247 0.22 2
  248 1.3 13
  262 3.5 35
  263 0.8 8
  268 0.17 2
  269 1.3 13
  270 0.4 4
  272 1.3 13
  274 0.22 2
  275 0.8 8
  276 11.2 112
  277 2.2 22
//