ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006849
RECORD_TITLE: 3-HEXANOL; 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$NAME: 3-HEXANOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9000000000-fd2c0700401040f6c65c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.02 20
  26 1.84 18
  27 21.56 216
  28 3.08 31
  29 19.57 196
  30 1.16 12
  31 39.68 397
  39 10.27 103
  40 1.07 11
  41 23.88 239
  42 4.21 42
  43 32.14 321
  44 6.14 61
  45 5.72 57
  53 1.49 15
  55 77.13 771
  56 5.2 52
  57 9.25 93
  58 7.93 79
  59 99.99 999
  60 3.48 35
  69 1.39 14
  72 4.41 44
  73 44.91 449
  74 1.62 16
//
