ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005676
RECORD_TITLE: 3-HEXANOL; 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$NAME: 3-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCC(O)CC
CH$IUPAC: InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY ZOCHHNOQQHDWHG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70862314
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$SPLASH: splash10-0a4i-9000000000-2649be476961c87c5ec2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.97 40
  29 7.66 77
  31 30.41 304
  39 1.5 15
  41 17.49 175
  42 2.36 24
  43 32.37 324
  44 3.71 37
  45 5.39 54
  55 94.55 946
  56 6.21 62
  57 8.49 85
  58 11.56 116
  59 99.99 999
  60 4.39 44
  69 1.96 20
  72 8.13 81
  73 63.97 640
  74 2.95 30
  84 1.37 14
  85 11.76 118
  101 0.47 5
  102 0.06 1
//
