ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010644
RECORD_TITLE: (1S,2S,3E,7E)-2,17-DIHYDROXYCEMBRA-3,7,11,15-TETRAENE; 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$NAME: (1S,2S,3E,7E)-2,17-DIHYDROXYCEMBRA-3,7,11,15-TETRAENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O₂
CH$EXACT_MASS: 304.24023
CH$SMILES: OCC(=C)C([H])(C1)C([H])(O)C([H])=C(C)CCC([H])=C(C)CCC([H])=C(C)C1
CH$IUPAC: InChI=1S/C20H32O2/c1-15-7-5-9-16(2)11-12-19(18(4)14-21)20(22)13-17(3)10-6-8-15/h8-9,13,19-22H,4-7,10-12,14H2,1-3H3/b15-8+,16-9-,17-13+/t19-,20-/m0/s1
CH$LINK: INCHIKEY VUIHPHBVTNHHIN-WUTWRXGKSA-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$SPLASH: splash10-00l6-9400000000-abf09f1483920574c7f3
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  40 10.4 104
  41 82 820
  42 10.4 104
  43 3.9 39
  44 14.9 149
  45 8.9 89
  51 5.9 59
  52 0.45 5
  53 40.3 403
  54 7.5 75
  55 70.1 701
  56 2.09 21
  57 11.9 119
  58 2.9 29
  59 2.9 29
  65 1.19 12
  66 8.9 89
  67 52.2 522
  68 71.6 716
  69 3.88 39
  70 5.9 59
  71 13.4 134
  72 2.9 29
  77 2.09 21
  78 7.5 75
  79 41.8 418
  80 14.9 149
  81 7.61 76
  82 17.9 179
  83 38.8 388
  84 99.99 999
  85 1.19 12
  91 26.9 269
  92 11.9 119
  93 62.7 627
  94 1.79 18
  95 40.3 403
  96 10.5 105
  97 13.4 134
  98 0.29 3
  99 1.5 15
  103 2.9 29
  104 1.5 15
  105 2.08 21
  106 11.9 119
  107 40.3 403
  108 16.4 164
  109 2.69 27
  110 7.5 75
  111 5.9 59
  113 0.7 7
  114 0.07 1
  115 2.9 29
  116 2.2 22
  117 5.9 59
  118 0.29 3
  119 25.3 253
  120 10.4 104
  121 28.4 284
  122 1.79 18
  123 16.4 164
  124 5.9 59
  125 5.9 59
  126 0.2 2
  131 7.5 75
  132 5.9 59
  133 16.4 164
  134 2.84 28
  135 62.7 627
  136 14.9 149
  137 13.4 134
  138 0.59 6
  139 4.5 45
  140 1.5 15
  145 7.5 75
  146 0.59 6
  147 13.4 134
  148 5.9 59
  149 10.5 105
  150 0.67 7
  151 5.2 52
  152 4.5 45
  153 2.9 29
  159 0.75 8
  160 2.9 29
  161 6.7 67
  162 4.5 45
  163 0.45 5
  164 2.9 29
  165 2.2 22
  173 5.9 59
  174 0.29 3
  175 7.5 75
  176 3.7 37
  177 4.5 45
  178 0.22 2
  179 1.5 15
  185 2.9 29
  186 1.5 15
  187 0.45 5
  188 2.9 29
  189 5.9 59
  190 2.9 29
  191 0.29 3
  192 1.5 15
  193 1.5 15
  201 2.2 22
  202 0.75 8
  203 6.7 67
  204 1.5 15
  205 1.5 15
  213 0.07 1
  215 0.7 7
  217 0.7 7
  218 0.7 7
  221 0.29 3
  222 0.7 7
  223 0.7 7
  243 4.5 45
  244 0.22 2
  253 0.7 7
  255 0.7 7
  256 0.7 7
  257 0.07 1
  271 5.9 59
  272 0.7 7
  273 5.9 59
  274 0.15 2
  286 12.7 127
  287 3.7 37
  288 0.7 7
  304 0.37 4
  305 0.7 7
//