ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007027
RECORD_TITLE: 2-METHYL-2,4-PENTANEDIOL; 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$NAME: 2-METHYL-2,4-PENTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: CC(O)CC(C)(C)O
CH$IUPAC: InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
CH$LINK: INCHIKEY SVTBMSDMJJWYQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021885
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$SPLASH: splash10-0a4l-9000000000-58b9c84e91a742088086
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 4.18 42
  19 1.08 11
  27 6.65 67
  28 1.3 13
  29 6.11 61
  31 13.3 133
  39 7.02 70
  40 1.54 15
  41 21.48 215
  42 13.77 138
  43 78.35 784
  44 4.15 42
  45 20.17 202
  55 3.01 30
  56 26.59 266
  57 13.23 132
  58 3.64 36
  59 99.99 999
  60 3.24 32
  61 9.34 93
  85 9.32 93
  103 5.96 60
//
