ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001808
RECORD_TITLE: DIISOBUTYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIISOBUTYL KETONE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4r-9000000000-9382d11942152900dc11
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 1.38 14
  27 9.44 94
  28 1.6 16
  29 15.98 160
  39 9.15 92
  40 1.6 16
  41 33.12 331
  42 5.08 51
  43 20.48 205
  55 2.47 25
  56 2.11 21
  57 99.99 999
  58 25.27 253
  59 2.32 23
  67 1.45 15
  69 4.5 45
  71 1.45 15
  84 1.96 20
  85 70.88 709
  86 3.63 36
  100 2.9 29
  127 3.63 36
  142 8.71 87
  143 1.53 15
//