ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005263
RECORD_TITLE: 4-BENZOYLOXYCYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-BENZOYLOXYCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O3
CH$EXACT_MASS: 218.09429
CH$SMILES: O=C(C2)CCC(C2)OC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H14O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,12H,6-9H2
CH$LINK: INCHIKEY VFICJPDIBDJAGL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10287542
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4j-9700000000-7d4befdb25806384555d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41 7.1 71
  42 3.1 31
  50 9.2 92
  52 1.69 17
  67 3.1 31
  68 18.5 185
  77 33.9 339
  78 0.37 4
  96 64.6 646
  97 10.2 102
  105 99.99 999
  106 0.8 8
  125 7.7 77
  134 5.9 59
  161 4.3 43
  200 0.28 3
  218 4.6 46
//
