ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004747
RECORD_TITLE: 5,5-DIMETHYLHEXAN-2,4-DIONE; 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$NAME: 5,5-DIMETHYLHEXAN-2,4-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(=O)CC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3
CH$LINK: CAS 7307-04-2
CH$LINK: INCHIKEY LCLCVVVHIPPHCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90223342

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-052o-9100000000-3fcb4be8549999c686c1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  18 7.39 74
  28 9.86 99
  29 6.84 68
  41 17.68 177
  42 2.73 27
  43 70.1 701
  55 4.11 41
  56 14.74 147
  57 98.9 989
  58 20.3 203
  59 6.57 66
  69 7.27 73
  71 9.76 98
  83 3.38 34
  84 30.09 301
  85 99.99 999
  86 19.47 195
  87 5.27 53
  98 4.38 44
  99 5.36 54
  112 4.2 42
  113 2.22 22
  114 13.13 131
  127 5.28 53
  142 56.49 565
  143 5.3 53
//