ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005828
RECORD_TITLE: 2,6-DIMETHYL-4-HEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2,6-DIMETHYL-4-HEPTANONE
CH$NAME: DIISOBUTYL KETONE
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-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: splash10-052r-9100000000-9e44efa94d39c79fda18
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 2.26 23
  41 6.19 62
  43 4.93 49
  57 66.28 663
  58 18.48 185
  59 1.44 14
  69 1.68 17
  86 99.99 999
  87 5.84 58
  100 3.44 34
  127 6.88 69
  142 21.18 212
  143 2.79 28
//
