ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000777
RECORD_TITLE: 12-BROMO-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$NAME: 12-BROMO-15-HYDROXYBICYCLO(8.3.2)PENTADECA-1(13),10(15),11-TRIEN-14-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H19BrO2
CH$EXACT_MASS: 310.05684
CH$SMILES: C(C2)CCCC(C=1)=C(O)C(=O)C(CCC2)=CC(Br)1
CH$IUPAC: InChI=1S/C15H19BrO2/c16-13-9-11-7-5-3-1-2-4-6-8-12(10-13)15(18)14(11)17/h9-10H,1-8H2,(H,17,18)
CH$LINK: INCHIKEY MXCGVEWCDPPUND-UHFFFAOYSA-N
AC$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: splash10-01tl-3970000000-fa25aebe321c9d5f10fa
PK$NUM_PEAK: 165
PK$PEAK: m/z int. rel.int.
  71 5.5 55
  72 3 30
  73 3 30
  74 0.5 5
  75 3 30
  77 40 400
  78 31 310
  79 3.2 32
  80 5 50
  81 27 270
  82 4.5 45
  83 0.8 8
  89 8.5 85
  90 9 90
  91 77 770
  92 2.3 23
  93 16 160
  94 7.5 75
  95 20 200
  96 0.3 3
  97 3 30
  101 3.5 35
  102 8 80
  103 1.55 16
  104 16 160
  105 24 240
  106 4 40
  107 1.5 15
  108 4.5 45
  109 9.5 95
  115 23 230
  116 1.1 11
  117 15.5 155
  118 9 90
  119 17 170
  120 1 10
  121 24 240
  122 5 50
  123 11 110
  127 0.5 5
  128 15.5 155
  129 27 270
  130 8 80
  131 2.25 23
  132 12 120
  133 16.5 165
  134 10 100
  135 1 10
  136 5.5 55
  137 15 150
  141 10 100
  142 0.65 7
  143 12 120
  144 6.5 65
  145 22 220
  146 1.1 11
  147 21 210
  148 7.5 75
  149 37 370
  151 0.9 9
  152 6 60
  153 4.5 45
  154 3.5 35
  156 0.45 5
  157 7.5 75
  158 19 190
  159 4.5 45
  160 0.9 9
  161 9 90
  162 15 150
  163 5 50
  164 3.4 34
  165 5 50
  166 4 40
  169 8 80
  170 0.75 8
  171 16 160
  172 16 160
  173 7 70
  174 0.7 7
  175 16 160
  176 5.5 55
  177 8 80
  181 0.4 4
  183 6 60
  184 5.5 55
  185 99.99 999
  186 2.7 27
  187 7.5 75
  188 4.5 45
  189 19 190
  190 1.2 12
  195 8 80
  197 5 50
  198 19 190
  199 1.1 11
  200 22 220
  201 16 160
  202 14 140
  203 2.3 23
  204 5.5 55
  208 16.5 165
  209 6.5 65
  210 1.7 17
  211 16 160
  212 8.5 85
  213 31.5 315
  214 1.6 16
  215 6 60
  216 10.5 105
  217 4.5 45
  221 1 10
  222 4.5 45
  223 12 120
  224 7.5 75
  225 0.45 5
  226 6.5 65
  227 26 260
  228 7.5 75
  229 2.5 25
  230 22.5 225
  231 3 30
  235 4 40
  236 0.4 4
  237 3.5 35
  238 6.5 65
  239 21.5 215
  240 0.6 6
  241 27 270
  242 5.5 55
  243 13 130
  244 0.4 4
  246 3.5 35
  249 3 30
  250 5 50
  251 0.35 4
  252 4 40
  253 20 200
  254 3 30
  255 2.15 22
  256 4 40
  257 4 40
  263 15.5 155
  264 3.4 34
  265 16 160
  266 34 340
  267 17 170
  269 1.75 18
  274 7 70
  275 68 680
  276 13.5 135
  277 7.1 71
  278 12.5 125
  281 5 50
  282 8 80
  283 0.4 4
  284 5 50
  291 3.5 35
  292 6.5 65
  293 0.45 5
  294 5 50
  310 46.5 465
  311 10.5 105
  312 5.05 51
  313 9 90
//
