ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000776
RECORD_TITLE: 15-HYDROXYBICYCLO(8.3.2)PENTADECA-1(13),10(15),11-TRIEN-14-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 15-HYDROXYBICYCLO(8.3.2)PENTADECA-1(13),10(15),11-TRIEN-14-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H20O2
CH$EXACT_MASS: 232.14633
CH$SMILES: C(C2)CCCC(C=1)=C(O)C(=O)C(CCC2)=CC1
CH$IUPAC: InChI=1S/C15H20O2/c16-14-12-8-5-3-1-2-4-6-9-13(15(14)17)11-7-10-12/h7,10-11H,1-6,8-9H2,(H,16,17)
CH$LINK: INCHIKEY BQQGHBJODQRYOB-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000m-2910000000-96f8d29a21824923513c
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  51 5 50
  52 4 40
  53 13 130
  54 0.35 4
  55 36 360
  56 3 30
  57 3 30
  65 1.5 15
  66 11.5 115
  67 21 210
  68 3.5 35
  69 1.05 11
  77 51 510
  78 15 150
  79 24 240
  80 0.7 7
  81 13 130
  82 4 40
  83 5 50
  89 0.5 5
  90 5 50
  91 89.5 895
  92 34 340
  93 1.65 17
  94 19 190
  95 12 120
  96 3 30
  97 0.3 3
  102 5 50
  103 15 150
  104 11 110
  105 2.9 29
  106 7 70
  107 38.5 385
  108 15 150
  109 0.8 8
  110 4 40
  115 21.5 215
  116 6.5 65
  117 1.65 17
  118 8 80
  119 15.5 155
  120 53 530
  121 3.9 39
  122 24.5 245
  123 22.5 225
  124 8 80
  125 0.35 4
  127 5 50
  128 14.5 145
  129 23.5 235
  130 4.15 42
  131 30.5 305
  132 14 140
  133 32 320
  134 1.4 14
  135 15 150
  136 32 320
  137 20 200
  138 0.45 5
  141 6.5 65
  142 5 50
  143 36 360
  144 2.8 28
  145 27.5 275
  146 12 120
  147 31 310
  148 1.4 14
  149 19 190
  150 79 790
  151 16 160
  152 0.5 5
  153 4.5 45
  154 3.5 35
  155 4.5 45
  157 3 30
  158 28 280
  159 11.5 115
  160 8.5 85
  161 5.4 54
  162 18.5 185
  163 47.5 475
  164 11.5 115
  165 0.45 5
  167 7 70
  168 5.5 55
  169 4 40
  170 0.4 4
  171 23 230
  172 15 150
  173 10 100
  175 5.5 55
  176 17 170
  177 16 160
  178 4.5 45
  182 0.5 5
  184 3 30
  185 41.5 415
  186 79 790
  187 1.45 15
  188 3 30
  189 55.5 555
  190 9 90
  191 0.9 9
  196 13 130
  197 99.99 999
  198 20 200
  199 0.65 7
  200 3 30
  203 11 110
  204 6 60
  213 0.5 5
  214 14.5 145
  215 5 50
  217 4.5 45
  231 0.55 6
  232 84.5 845
  233 17.5 175
  234 5.5 55
//
