ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004857
RECORD_TITLE: 1-PHENYLBICYCLO(3.2.2)NONA-3,6,8-TRIEN-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$NAME: 1-PHENYLBICYCLO(3.2.2)NONA-3,6,8-TRIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O
CH$EXACT_MASS: 208.08882
CH$SMILES: c(c3)ccc(c3)C(C=2)(C=1)C(=O)C=CC(C2)C1
CH$IUPAC: InChI=1S/C15H12O/c16-14-7-6-12-8-10-15(14,11-9-12)13-4-2-1-3-5-13/h1-12H
CH$LINK: INCHIKEY KMQQYEHQPILLDQ-UHFFFAOYSA-N
AC$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: splash10-053r-0960000000-f855093be7683fd907c8
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  131 63.3 633
  132 5.2 52
  155 2.2 22
  165 1.07 11
  166 4.2 42
  167 4.8 48
  168 1.7 17
  179 6.52 65
  180 90.4 904
  181 12.2 122
  183 2 20
  190 0.12 1
  191 2 20
  192 2 20
  207 30.3 303
  208 99.99 999
  209 19.1 191
//
