ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009146
RECORD_TITLE: 2,3-DIMETHYL-2,3-BUTANEDIOL; 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$NAME: 2,3-DIMETHYL-2,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O2
CH$EXACT_MASS: 118.09938
CH$SMILES: CC(C)(O)C(C)(C)O
CH$IUPAC: InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
CH$LINK: INCHIKEY IVDFJHOHABJVEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3058793
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$SPLASH: splash10-0a4i-9000000000-779de644a5975c547ced
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 2.71 27
  27 1.73 17
  29 3.46 35
  31 12.28 123
  39 3.47 35
  41 11.22 112
  42 2.43 24
  43 21.75 218
  55 1.25 13
  57 16.49 165
  58 2.83 28
  59 99.99 999
  60 3.72 37
  83 1.47 15
  85 11.4 114
  101 1.06 11
  103 1.74 17
//
