ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010628
RECORD_TITLE: (3E,7E,11E)-2-HYDROXYCEMBRA-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$NAME: (3E,7E,11E)-2-HYDROXYCEMBRA-3,7,11,15-TETRAENE
CH$NAME: MAYOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O
CH$EXACT_MASS: 288.24532
CH$SMILES: CC(C1)=C([H])CCC(C)=C([H])C([H])(O)C([H])(CCC(C)=C([H])C1)C(C)=C
CH$IUPAC: InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14,19-21H,1,6-8,11-13H2,2-5H3/b16-9+,17-10+,18-14+/t19-,20-/m1/s1
CH$LINK: INCHIKEY AZUVBPVDRHGGEP-CHHSKAHISA-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$SPLASH: splash10-0159-9410000000-1e03be2bafac804e0444
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  41 38.8 388
  42 4.7 47
  43 12.9 129
  44 0.12 1
  53 18 180
  54 47 470
  55 35.3 353
  56 0.94 9
  57 17.6 176
  59 2.4 24
  65 8.2 82
  66 0.59 6
  67 35.3 353
  68 85.9 859
  69 99.99 999
  70 0.82 8
  71 12.9 129
  72 1.2 12
  77 14.1 141
  78 0.47 5
  79 24.7 247
  80 12.9 129
  81 82.4 824
  82 1.41 14
  83 21.2 212
  84 94.1 941
  85 11.8 118
  86 0.12 1
  91 14.1 141
  92 9.4 94
  93 51.8 518
  94 2 20
  95 36.5 365
  96 8.2 82
  97 11.8 118
  98 0.06 1
  99 1.2 12
  105 15.3 153
  106 7.1 71
  107 3.18 32
  108 12.9 129
  109 30.6 306
  110 7.1 71
  111 0.47 5
  113 2.4 24
  115 2.4 24
  116 1.2 12
  117 0.24 2
  118 1.2 12
  119 16.5 165
  120 7.1 71
  121 4.24 42
  122 12.9 129
  123 38.8 388
  124 11.8 118
  125 0.35 4
  126 2.4 24
  127 1.2 12
  131 5.9 59
  132 0.24 2
  133 11.8 118
  134 14.1 141
  135 23.5 235
  136 5.65 57
  137 31.8 318
  138 8.2 82
  139 2.4 24
  145 0.76 8
  146 3.5 35
  147 14.1 141
  148 11.8 118
  149 1.65 17
  150 9.4 94
  151 7.1 71
  152 3.6 36
  153 0.12 1
  157 2.4 24
  158 1.2 12
  159 9.4 94
  160 0.35 4
  161 14.1 141
  162 5.9 59
  163 7.1 71
  164 0.47 5
  165 3.5 35
  166 2.4 24
  167 1.2 12
  173 0.35 4
  174 2.4 24
  175 10.6 106
  176 3.5 35
  177 0.82 8
  178 3.5 35
  179 1.2 12
  185 3.5 35
  186 0.12 1
  187 4.7 47
  188 2.4 24
  189 8.2 82
  190 0.24 2
  191 9.4 94
  192 3.6 36
  193 1.2 12
  199 0.36 4
  201 7.1 71
  202 4.7 47
  203 3.5 35
  204 1.53 15
  205 8.2 82
  206 4.7 47
  207 2.4 24
  208 0.12 1
  213 2.4 24
  214 1.2 12
  215 2.4 24
  216 0.06 1
  217 5.9 59
  218 2.4 24
  219 2.4 24
  220 0.12 1
  227 3.5 35
  228 1.2 12
  229 0.6 6
  230 0.12 1
  231 3.6 36
  232 2.4 24
  245 7.1 71
  246 0.18 2
  253 2.4 24
  254 1.2 12
  255 2.9 29
  257 0.12 1
  259 1.2 12
  260 2.4 24
  261 1.2 12
  270 0.59 6
  271 2.4 24
  272 1.2 12
  273 3.5 35
  274 0.12 1
  288 22.4 224
  289 7.1 71
  290 1.2 12
//