ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007034
RECORD_TITLE: 2,4-DIMETHYL-3-PENTANONE; 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$NAME: 2,4-DIMETHYL-3-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C)C(=O)C(C)C
CH$IUPAC: InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY HXVNBWAKAOHACI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3038771
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$SPLASH: splash10-0006-9000000000-ae8109b01439d115af03
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 1.63 16
  18 1.81 18
  26 1.69 17
  27 20.8 208
  28 2.47 25
  29 1.4 14
  39 13.03 130
  40 1.56 16
  41 25.31 253
  42 7.49 75
  43 99.99 999
  44 4.1 41
  55 1.75 18
  56 1 10
  70 6.76 68
  71 34.91 349
  72 1.24 12
  114 5.42 54
//
