ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000780
RECORD_TITLE: 12-PHENYLAZOBICYCLO(8.3.2)PENTADECA-1(13),10-DIEN-14,15-DIONE; 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$NAME: 12-PHENYLAZOBICYCLO(8.3.2)PENTADECA-1(13),10-DIEN-14,15-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H24N2O2
CH$EXACT_MASS: 336.18378
CH$SMILES: C(C3)CCCC(=C1)C(=O)C(=O)C(CCC3)=CC(N=Nc(c2)cccc2)1
CH$IUPAC: InChI=1S/C21H24N2O2/c24-20-16-10-6-3-1-2-4-7-11-17(21(20)25)15-19(14-16)23-22-18-12-8-5-9-13-18/h5,8-9,12-15,19H,1-4,6-7,10-11H2/b23-22+
CH$LINK: INCHIKEY WJZNGDMCEJWEGB-GHVJWSGMSA-N
AC$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: splash10-004r-2910000000-f0d94101c1ada3c50765
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
  73 3 30
  76 4 40
  77 99.99 999
  78 4.7 47
  79 30 300
  80 5.5 55
  81 13 130
  82 0.3 3
  83 4 40
  90 4.5 45
  91 66 660
  92 2.2 22
  93 22 220
  94 13 130
  95 9 90
  102 0.3 3
  103 13 130
  104 7 70
  105 40.5 405
  106 0.9 9
  107 26 260
  108 9 90
  109 7 70
  115 1.6 16
  116 6.5 65
  117 18 180
  118 7 70
  119 1.3 13
  120 28 280
  121 26 260
  122 16 160
  123 1.3 13
  124 6 60
  127 4.5 45
  128 14 140
  129 1.9 19
  130 27 270
  131 23 230
  132 9 90
  133 2.3 23
  134 9 90
  135 9.5 95
  136 15 150
  137 1 10
  138 3 30
  141 8 80
  142 4 40
  143 2.2 22
  144 17 170
  145 18 180
  146 8 80
  147 2.1 21
  148 8 80
  149 18.5 185
  150 42 420
  151 0.85 9
  152 6 60
  153 7.5 75
  154 5.5 55
  155 0.65 7
  157 21 210
  158 15.5 155
  159 7 70
  160 0.55 6
  161 33.5 335
  162 12 120
  163 23 230
  164 0.65 7
  165 8.5 85
  166 3.5 35
  167 9.5 95
  168 0.6 6
  169 6 60
  170 6.5 65
  171 13 130
  172 0.8 8
  173 8 80
  174 4 40
  175 28.5 285
  176 0.9 9
  177 9.5 95
  178 4 40
  179 3 30
  181 0.5 5
  182 7 70
  183 11 110
  184 4 40
  185 5.95 60
  186 47.5 475
  187 9.5 95
  189 16 160
  190 0.55 6
  191 5.5 55
  195 5.5 55
  196 10 100
  197 4.7 47
  198 11.5 115
  199 5.5 55
  200 3.5 35
  202 0.35 4
  203 12 120
  204 4.5 45
  209 4.5 45
  210 0.3 3
  211 3.5 35
  212 3.5 35
  213 9 90
  214 0.85 9
  215 5 50
  217 4.5 45
  218 3.5 35
  219 0.45 5
  223 3 30
  226 6 60
  231 8 80
  232 3.8 38
  233 9.5 95
  234 3.5 35
  251 4 40
  254 0.4 4
  262 13 130
  263 3 30
  265 3.5 35
  273 0.5 5
  279 3 30
  280 8.5 85
  281 3 30
  290 0.75 8
  291 3.5 35
  301 9 90
  308 19 190
  309 0.55 6
  336 52 520
  337 12 120
//
