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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006096

2-HEXANOL; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006096
RECORD_TITLE: 2-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$NAME: 2-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCC(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY QNVRIHYSUZMSGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30893088

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$SPLASH: splash10-000i-9000000000-6a2465fd6b8f6d61c645
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  69 10.75 108
  72 2.47 25
  83 6.25 63
  84 7.79 78
  85 99.99 999
  86 9.78 98
  87 4.49 45
  101 3.86 39
  102 0.27 3
  103 3.98 40
//

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