ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009142
RECORD_TITLE: 2,5-DIMETHYL-3-HEXYN-2,5-DIOL; 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$NAME: 2,5-DIMETHYL-3-HEXYN-2,5-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(C)(O)C#CC(C)(C)O
CH$IUPAC: InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
CH$LINK: COMPTOX DTXSID2027096
CH$LINK: INCHIKEY IHJUECRFYCQBMW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8883
AC$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: splash10-052f-9300000000-96255c0d4ee6fbbf84ca
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 6.98 70
  27 6.57 66
  29 4.07 41
  31 3.72 37
  38 1.7 17
  39 12.45 125
  41 16.03 160
  42 2.5 25
  43 99.99 999
  44 2.77 28
  50 1.67 17
  51 4.49 45
  52 1.19 12
  53 9.71 97
  54 1.11 11
  55 5.8 58
  56 3.15 32
  57 2.2 22
  59 9.27 93
  65 3.87 39
  66 2.37 24
  67 6.57 66
  68 1 10
  69 12.37 124
  77 2.05 21
  79 6.54 65
  81 49.73 497
  82 4.47 45
  83 1.78 18
  95 1.59 16
  109 81.02 810
  110 6.82 68
  111 1.9 19
  127 20.24 202
  128 1.18 12
//
