ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010631
RECORD_TITLE: (1S,2R,3E,7E,11E)-2-HYDROXYCEMBRA-3,7,11-TRIENE; 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$NAME: (1S,2R,3E,7E,11E)-2-HYDROXYCEMBRA-3,7,11-TRIENE
CH$NAME: MUKULOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₄O
CH$EXACT_MASS: 290.26097
CH$SMILES: CC(C1)=C([H])CCC(C)=C([H])C([H])(O)C([H])(CCC(C)=C([H])C1)C(C)C
CH$IUPAC: InChI=1S/C20H34O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14-15,19-21H,6-8,11-13H2,1-5H3/b16-9+,17-10+,18-14+/t19-,20+/m0/s1
CH$LINK: INCHIKEY HVZNIISBCURSMR-ALFIBICVSA-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$SPLASH: splash10-00lr-9400000000-d9ba94f93c3f9d5f5851
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  41 68.3 683
  42 9.8 98
  43 36.6 366
  44 0.12 1
  45 1.2 12
  53 26 260
  54 4.9 49
  55 5.61 56
  56 14.6 146
  57 28 280
  58 2.4 24
  59 0.24 2
  65 6.1 61
  66 4.9 49
  67 42.7 427
  68 5.98 60
  69 73.2 732
  70 9.8 98
  71 15.9 159
  72 0.12 1
  77 12.2 122
  78 3.7 37
  79 23.2 232
  80 1.09 11
  81 93.9 939
  82 24.4 244
  83 36.6 366
  84 99.99 999
  85 13.4 134
  91 14.6 146
  92 7.3 73
  93 3.54 35
  94 17.1 171
  95 47.6 476
  96 15.9 159
  97 1.59 16
  98 3 30
  99 2.4 24
  105 10.9 109
  106 0.49 5
  107 25.6 256
  108 12.2 122
  109 31.7 317
  110 0.73 7
  111 6.1 61
  119 8.5 85
  120 4.9 49
  121 2.56 26
  122 19.5 195
  123 48.8 488
  124 8.5 85
  125 0.37 4
  126 1.2 12
  127 1.2 12
  131 3.7 37
  132 0.12 1
  133 7.3 73
  134 6.1 61
  135 17.1 171
  136 2.8 28
  137 19.5 195
  138 6.1 61
  139 3.7 37
  140 0.5 5
  141 1.2 12
  145 2.4 24
  146 3.7 37
  147 0.73 7
  148 8.5 85
  149 17.1 171
  150 6.1 61
  151 0.61 6
  152 1.8 18
  153 2.4 24
  159 4.9 49
  160 0.24 2
  161 9.8 98
  162 4.9 49
  163 8.5 85
  164 0.55 6
  165 2.4 24
  166 2.4 24
  167 1.2 12
  173 0.24 2
  175 2.4 24
  176 2.4 24
  177 6.1 61
  178 0.18 2
  179 2.4 24
  187 3.7 37
  188 1.2 12
  189 0.61 6
  190 2.4 24
  191 4.9 49
  192 2.4 24
  193 0.12 1
  215 1.2 12
  216 1.2 12
  217 3.7 37
  218 0.06 1
  219 0.6 6
  220 1.2 12
  229 9.8 98
  230 0.24 2
  231 1.2 12
  247 4.9 49
  248 1.2 12
  257 0.49 5
  258 0.6 6
  272 12.2 122
  273 3.7 37
  274 0.06 1
  275 3.7 37
  276 1.2 12
  290 11 110
  291 0.35 4
  292 1.2 12
//