ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008850
RECORD_TITLE: 2-METHYL-2,4-PENTANEDIOL; 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$NAME: 2-METHYL-2,4-PENTANEDIOL
CH$NAME: 2,4-DIHYDROXY-2-METHYLPENTANE
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 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: splash10-0a4l-9000000000-a819b17eccffc876dbbd
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 3.17 32
  27 4.33 43
  28 1.67 17
  29 5.92 59
  31 9.67 97
  39 4.5 45
  40 1.58 16
  41 17.92 179
  42 14.17 142
  43 64.17 642
  44 3.92 39
  45 17.08 171
  55 3.08 31
  56 27.5 275
  57 13.17 132
  58 3.17 32
  59 99.99 999
  60 4.83 48
  61 9.58 96
  67 1 10
  85 9.08 91
  103 4.42 44
//
