ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007042
RECORD_TITLE: 2,6-DIMETHYL-4-HEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2,6-DIMETHYL-4-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O
CH$EXACT_MASS: 142.13577
CH$SMILES: CC(C)CC(=O)CC(C)C
CH$IUPAC: InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY PTTPXKJBFFKCEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025080
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4r-9000000000-1969d8f7cb8d04d73fe5
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1.61 16
  27 15.24 152
  29 21.52 215
  39 15.2 152
  40 1.74 17
  41 40.57 406
  42 8.01 80
  43 17.83 178
  53 1.24 12
  55 2.12 21
  56 1.94 19
  57 99.99 999
  58 24.63 246
  59 1.22 12
  67 1.01 10
  69 2.24 22
  85 73 730
  86 3.94 39
  100 1.72 17
  127 3.54 35
  142 8.29 83
//
