MassBank Record: JP002086



 EUDESMA-4(14),7(11)-DIEN-8-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002086
RECORD_TITLE: EUDESMA-4(14),7(11)-DIEN-8-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: EUDESMA-4(14),7(11)-DIEN-8-ONE CH$NAME: 4-ISOPROPYLIDENE-1-METHYL-7-METHYLENE-TRANS-DECALIN-3-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H22O CH$EXACT_MASS: 218.16707 CH$SMILES: CC(C)=C(C(=O)1)CC([H])(C(=C)2)C(C)(CCC2)C1 CH$IUPAC: InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h13H,3,5-9H2,1-2,4H3/t13-,15+/m0/s1
AC$INSTRUMENT: HITACHI RMU-7 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 60 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9410000000-0813cc1402d166ea3ed4 PK$NUM_PEAK: 117 PK$PEAK: m/z int. rel.int. 15 7.5 75 17 3.2 32 18 12.9 129 26 0.43 4 27 20.4 204 28 31.2 312 29 39.8 398 32 0.75 8 36 2.2 22 38 2.2 22 39 49.5 495 40 1.29 13 41 99.99 999 42 10.8 108 43 45.2 452 44 0.54 5 45 3.2 32 50 2.2 22 51 9.7 97 52 0.43 4 53 34.4 344 54 7.5 75 55 49.5 495 56 0.54 5 57 6.5 65 58 8.6 86 59 2.2 22 63 0.32 3 64 3.2 32 65 21.5 215 66 7.5 75 67 5.27 53 68 22.6 226 69 19.4 194 70 5.4 54 71 0.43 4 77 32.3 323 78 9.7 97 79 49.5 495 80 1.4 14 81 23.7 237 82 8.6 86 83 8.6 86 84 0.22 2 91 53.8 538 92 11.8 118 93 45.2 452 94 0.86 9 95 28 280 96 12.9 129 97 5.4 54 98 0.22 2 99 2.2 22 103 5.4 54 104 2.2 22 105 3.01 30 106 8.6 86 107 34.4 344 108 29 290 109 1.4 14 110 3.2 32 111 2.2 22 115 5.4 54 116 0.32 3 117 7.5 75 118 4.3 43 119 23.7 237 120 0.75 8 121 24.7 247 122 12.9 129 123 7.5 75 124 0.22 2 127 2.2 22 128 3.2 32 129 4.3 43 131 0.86 9 132 2.2 22 133 37.6 376 134 10.8 108 135 2.37 24 137 6.5 65 141 10.8 108 142 2.2 22 144 0.22 2 145 6.5 65 146 4.3 43 147 35.5 355 148 1.18 12 149 18.3 183 150 4.3 43 151 2.2 22 155 0.43 4 157 2.2 22 159 6.5 65 160 2.2 22 161 1.61 16 162 10.8 108 163 5.4 54 164 2.2 22 167 0.22 2 169 2.2 22 173 2.2 22 174 2.2 22 175 2.04 20 176 5.4 54 177 3.2 32 179 2.2 22 185 0.22 2 189 3.2 32 190 4.3 43 203 11.8 118 204 0.22 2 216 3.2 32 218 91.4 914 219 11.8 118 220 0.22 2 136 8.6 86 //