ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006803
RECORD_TITLE: 3-ETHYL-2,4-PENTANEDIONE; 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$NAME: 3-ETHYL-2,4-PENTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: CCC(C(C)=O)C(C)=O
CH$IUPAC: InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3
CH$LINK: INCHIKEY GUARKOVVHJSMRW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30165510
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$SPLASH: splash10-006x-9000000000-235871498a19035c7f90
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 5.87 59
  27 4.06 41
  29 2.09 21
  31 1.07 11
  39 4.35 44
  41 4.74 47
  42 2.26 23
  43 99.99 999
  44 2.31 23
  45 1.47 15
  53 1.24 12
  55 2.14 21
  58 3.72 37
  67 3.84 38
  69 1.41 14
  71 53.33 533
  72 2.48 25
  85 5.76 58
  86 32.73 327
  87 2.26 23
  100 4.57 46
  113 6.77 68
  128 3.44 34
  129 1.41 14
//
