ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001828
RECORD_TITLE: 2,5-HEXANEDIOL; 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$NAME: 2,5-HEXANEDIOL
CH$NAME: 2,5-DIHYDROXYHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₂
CH$EXACT_MASS: 118.09938
CH$SMILES: CC(O)CCC(C)O
CH$IUPAC: InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY OHMBHFSEKCCCBW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50871000

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$SPLASH: splash10-0a4m-9000000000-c341ee689b419a250560
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 2.47 25
  19 2.95 30
  27 8.52 85
  28 7.76 78
  29 15.8 158
  31 3.98 40
  39 4.26 43
  40 2.06 21
  41 48.56 486
  42 3.09 31
  43 38.8 388
  44 4.05 41
  45 75.89 759
  46 1.51 15
  55 12.36 124
  56 99.99 999
  57 19.37 194
  58 18.2 182
  59 2.06 21
  67 10.1 101
  71 1.44 14
  83 1.58 16
  85 36.88 369
  86 1.72 17
//