ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004861
RECORD_TITLE: 1-PHENYL-5-METHOXYBICYCLO(3.2.2)NONA-3,6-DIEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-PHENYL-5-METHOXYBICYCLO(3.2.2)NONA-3,6-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H16O2
CH$EXACT_MASS: 240.11503
CH$SMILES: COC(C=2)(C3)C=CC(C3)(C(=O)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H16O2/c1-18-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3
CH$LINK: INCHIKEY MVGOFKVAGPVWCY-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zgl-0950000000-5b08c68e63a7f1a9be13
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  91 2.1 21
  98 2.1 21
  108 3.4 34
  109 0.17 2
  120 1.1 11
  121 2.1 21
  130 2.1 21
  131 0.9 9
  132 2.6 26
  133 0.6 6
  134 1.1 11
  135 0.17 2
  136 2.1 21
  137 1.1 11
  140 0.6 6
  141 0.11 1
  142 3.4 34
  143 1.7 17
  144 1.1 11
  148 0.21 2
  149 2.1 21
  154 99.99 999
  155 20.6 206
  156 0.21 2
  162 2.6 26
  163 15 150
  164 2.1 21
  165 0.39 4
  166 7.7 77
  167 12.9 129
  168 2.1 21
  178 0.21 2
  179 21 210
  180 56.4 564
  181 33.9 339
  182 0.82 8
  183 3 30
  184 7.7 77
  185 2.6 26
  186 0.21 2
  190 1.1 11
  191 2.1 21
  197 2.1 21
  198 0.17 2
  199 1.1 11
  200 2.1 21
  207 41.4 414
  208 8.48 85
  209 20 200
  210 3.9 39
  211 3.4 34
  212 3.26 33
  213 3.8 38
  222 3.4 34
  225 13.3 133
  226 0.32 3
  239 15.9 159
  240 70.8 708
  241 13.3 133
  242 3.4 34
//
