ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006095
RECORD_TITLE: 1-HEXANOL; CI-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$NAME: 1-HEXANOL
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000i-9000000000-48f5c5da7cd09948311e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  69 6.44 64
  83 8.95 90
  84 3.96 40
  85 99.99 999
  86 6.4 64
  101 2.36 24
  102 0.15 2
  103 0.74 7
//