ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009720
RECORD_TITLE: 1,6-HEXANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1,6-HEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O₂
CH$EXACT_MASS: 118.09938
CH$SMILES: OCCCCCCO
CH$IUPAC: InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
CH$LINK: INCHIKEY XXMIOPMDWAUFGU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027265

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05mo-9000000000-8a0b0be0f4cae16c83b3
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  18 2.85 29
  19 1.1 11
  27 2.49 25
  28 9.58 96
  29 12.71 127
  30 1.23 12
  31 38.75 388
  32 3.16 32
  39 2.36 24
  40 1.01 10
  41 60.47 605
  42 99.99 999
  43 26.4 264
  44 25.65 257
  45 10.81 108
  49 9.97 100
  53 2.59 26
  54 45.98 460
  55 43.17 432
  56 18.32 183
  57 54.29 543
  58 6 60
  59 1.86 19
  62 1.61 16
  67 95.15 952
  68 14 140
  69 27.87 279
  70 49.59 496
  71 17.82 178
  72 12.83 128
  73 1.19 12
  81 9.55 96
  82 31.59 316
  83 2.44 24
  88 3.84 38
  99 0.83 8
//