ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007022
RECORD_TITLE: 2,5-DIMETHYL-2,5-HEXANEDIOL; 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$NAME: 2,5-DIMETHYL-2,5-HEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O2
CH$EXACT_MASS: 146.13068
CH$SMILES: CC(C)(O)CCC(C)(C)O
CH$IUPAC: InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
CH$LINK: INCHIKEY ZWNMRZQYWRLGMM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026830
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$SPLASH: splash10-052f-9000000000-9b1218f22dfda21077ab
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 2.65 27
  27 5.95 60
  29 7.76 78
  31 13.83 138
  39 6.2 62
  41 12.27 123
  42 9.99 100
  43 99.99 999
  44 2.78 28
  45 2.01 20
  53 1.99 20
  55 28.51 285
  56 1.69 17
  57 3.63 36
  58 6.4 64
  59 76.11 761
  60 1.83 18
  67 1.82 18
  69 6.35 64
  70 46.1 461
  71 5.4 54
  77 1.3 13
  95 11.23 112
  111 1.92 19
  113 27.02 270
  114 1.53 15
//
