MassBank Record: JP000780



 12-PHENYLAZOBICYCLO(8.3.2)PENTADECA-1(13),10-DIEN-14,15-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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+
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 //