ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006097
RECORD_TITLE: 3-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$NAME: 3-HEXANOL
CH$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: 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$SPLASH: splash10-000i-9000000000-ba9387d82c25cb627fbe
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  69 1.89 19
  72 2.93 29
  73 16.9 169
  77 1.05 11
  83 3.2 32
  84 3.23 32
  85 99.99 999
  86 8.14 81
  101 3.25 33
  102 0.25 3
  103 3.99 40
  104 0.24 2
//