ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004625
RECORD_TITLE: 1-PHENYL-5-METHYLBICYCLO(3.2.2)NONAN-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$NAME: 1-PHENYL-5-METHYLBICYCLO(3.2.2)NONAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H20O
CH$EXACT_MASS: 228.15142
CH$SMILES: c(c3)ccc(c3)C(C2)(C1)C(=O)CCC(C)(C2)C1
CH$IUPAC: InChI=1S/C16H20O/c1-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
CH$LINK: INCHIKEY XDANWUDVRYHBAB-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-52
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: splash10-0ufu-2290000000-fd6f7798232993ba7415
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  94 72.7 727
  110 9.7 97
  130 16.1 161
  168 0.58 6
  169 13.3 133
  171 10.5 105
  195 8.7 87
  200 99.99 999
  201 27.6 276
  228 78.5 785
  229 22.3 223
//
