ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004862
RECORD_TITLE: 1-PHENYLBICYCLO(3.2.2)NONA-6,8-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$NAME: 1-PHENYLBICYCLO(3.2.2)NONA-6,8-DIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O
CH$EXACT_MASS: 210.10447
CH$SMILES: c(c3)ccc(c3)C(C=2)(C=1)C(=O)CCC(C2)C1
CH$IUPAC: InChI=1S/C15H14O/c16-14-7-6-12-8-10-15(14,11-9-12)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
CH$LINK: INCHIKEY UBXJWJIVXWHYSB-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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-0900000000-03027538031d2ad911d9
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  40 2.8 28
  56 3.7 37
  77 2.6 26
  78 0.22 2
  105 2.8 28
  106 1.9 19
  115 1.9 19
  122 0.19 2
  128 2 20
  129 1.9 19
  141 2.8 28
  152 0.6 6
  153 18.3 183
  154 99.99 999
  155 17 170
  156 0.43 4
  165 5.6 56
  166 3.7 37
  167 41.8 418
  168 1.53 15
  169 3.7 37
  170 1.9 19
  178 2.8 28
  179 0.3 3
  180 2.1 21
  181 3.4 34
  182 3.7 37
  183 0.19 2
  191 2.2 22
  192 3.4 34
  209 3 30
  210 3.69 37
  211 7.8 78
  212 3.7 37
//