ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010647
RECORD_TITLE: (1S,2E,4E,7E,10R,11E)-10HYDROXYCEMBRA-2,4,7,11-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$NAME: (1S,2E,4E,7E,10R,11E)-10HYDROXYCEMBRA-2,4,7,11-TETRAENE
CH$NAME: 10-HYDROXYCEMBRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O
CH$EXACT_MASS: 288.24532
CH$SMILES: [H]C(C1)=C(C)CC([H])(O)C([H])=C(C)CCC([H])(C(C)C)C([H])=C([H])C(C)=C([H])1
CH$IUPAC: InChI=1S/C20H32O/c1-15(2)19-11-9-16(3)7-6-8-17(4)13-20(21)14-18(5)10-12-19/h7-9,11,14-15,19-21H,6,10,12-13H2,1-5H3/b11-9+,16-7+,17-8+,18-14+/t19-,20+/m0/s1
CH$LINK: INCHIKEY UISPGBUXWMMCCP-HLWKUWEHSA-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$SPLASH: splash10-052f-9400000000-c63e41eb491441509d82
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  40 4.5 45
  41 94.3 943
  42 13.4 134
  43 99.99 999
  44 10.9 109
  45 17.8 178
  46 6.8 68
  51 0.53 5
  53 30.2 302
  54 7.2 72
  55 98.3 983
  56 1.93 19
  57 40.8 408
  58 7.5 75
  59 5.4 54
  60 0.85 9
  65 9.4 94
  66 4.9 49
  67 29.8 298
  68 1.66 17
  69 59.2 592
  70 14.5 145
  71 22.6 226
  72 0.35 4
  73 6.4 64
  77 29.1 291
  78 7.2 72
  79 3.42 34
  80 12.2 122
  81 48.9 489
  82 20.9 209
  83 3.38 34
  84 17.5 175
  85 10.5 105
  87 3.8 38
  91 3 30
  92 9 90
  93 52.6 526
  94 10.2 102
  95 2.36 24
  96 12.4 124
  97 39.4 394
  98 11.3 113
  99 0.53 5
  103 4.5 45
  105 30.2 302
  106 8 80
  107 2.89 29
  108 10.6 106
  109 22.8 228
  110 6.1 61
  111 1.39 14
  112 4.1 41
  113 3.6 36
  115 6.2 62
  117 0.79 8
  119 24.3 243
  120 7.5 75
  121 23.4 234
  122 1.38 14
  123 20.8 208
  124 5.4 54
  125 8 80
  126 0.45 5
  127 3.5 35
  128 3.9 39
  129 3.6 36
  131 0.75 8
  133 14.6 146
  134 5.6 56
  135 30.9 309
  136 1.56 16
  137 7.3 73
  138 3.8 38
  139 4.5 45
  141 0.31 3
  145 9 90
  147 11.3 113
  148 4.5 45
  149 0.95 10
  150 3.5 35
  151 4.5 45
  152 3.8 38
  153 0.33 3
  157 3.1 31
  159 5.9 59
  161 25.3 253
  162 0.48 5
  163 3.8 38
  164 7.9 79
  165 5.2 52
  171 0.32 3
  175 7.3 73
  176 2.5 25
  177 6.7 67
  179 0.57 6
  187 3 30
  188 3.4 34
  189 11.9 119
  190 1.41 14
  191 8.6 86
  192 2.5 25
  203 4.8 48
  204 0.72 7
  205 3.8 38
  206 2 20
  217 5.7 57
  218 0.19 2
  219 2.3 23
  227 5 50
  228 1 10
  245 0.74 7
  246 1.8 18
  270 2 20
  271 1 10
  273 0.31 3
  274 1.1 11
  288 19.6 196
  289 4.4 44
  290 0.8 8
//