ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006802
RECORD_TITLE: 6-METHYL-2,4-HEPTANEDIONE; 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$NAME: 6-METHYL-2,4-HEPTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(C)CC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY IGMOYJSFRIASIE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5062768

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$SPLASH: splash10-000f-9100000000-e17733595103bfe4f530
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.26 33
  27 9.15 92
  28 2.79 28
  29 10.24 102
  31 2.33 23
  39 8.22 82
  40 1.47 15
  41 17.77 178
  42 5.12 51
  43 83.17 832
  44 2.17 22
  55 2.87 29
  56 2.33 23
  57 27.08 271
  58 11.02 110
  67 1.55 16
  71 3.41 34
  72 2.25 23
  85 99.99 999
  86 4.73 47
  100 24.36 244
  101 1.24 12
  127 11.71 117
  128 0.93 9
  142 10.47 105
  143 1.16 12
//