ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003223
RECORD_TITLE: 2,2-DIPROPYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,2-DIPROPYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O2
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(CCC)(C(=O)1)C(=O)CC(C)(C)C1
CH$IUPAC: InChI=1S/C14H24O2/c1-5-7-14(8-6-2)11(15)9-13(3,4)10-12(14)16/h5-10H2,1-4H3
CH$LINK: INCHIKEY DFHLDDAIXQRSNN-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-7
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001j-9600000000-b03a9dfeb6701b1bad21
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41 45 450
  43 18 180
  55 31 310
  69 23 230
  82 6 60
  83 99.99 999
  84 16 160
  97 35 350
  98 15 150
  111 15 150
  126 18 180
  149 10 100
  153 10 100
  154 17 170
  165 7 70
  167 33 330
  168 10 100
  182 32 320
  195 32 320
  196 9 90
  224 9 90
//
