ACCESSION: JP006553
RECORD_TITLE: HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCCCO
CH$IUPAC: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY ZSIAUFGUXNUGDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021931

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$SPLASH: splash10-0a4l-9000000000-df7ed15b6c10248ee93a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.54 15
  26 1.95 20
  27 24.6 246
  28 4.69 47
  29 24.49 245
  31 33.86 339
  38 1.03 10
  39 16.28 163
  40 3.47 35
  41 46.02 460
  42 42.92 429
  43 60.61 606
  44 4.67 47
  45 3.31 33
  51 1.04 10
  53 2.12 21
  54 2.94 29
  55 52.62 526
  56 99.99 999
  57 9 90
  67 1.05 11
  69 26.5 265
  70 2.41 24
  71 1.54 15
  73 1.27 13
  83 1.24 12
  84 7.42 74
//