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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008204

(Z)-3-HEXENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008204
RECORD_TITLE: (Z)-3-HEXENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: (Z)-3-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC([H])=C([H])CCO
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
CH$LINK: INCHIKEY UFLHIIWVXFIJGU-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID6022137

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9000000000-3930494d4cdcbeff30de
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39 8.58 86
  41 99.99 999
  42 26.63 266
  43 2.96 30
  44 8.58 86
  45 3.25 33
  53 5.92 59
  54 13.61 136
  55 39.05 391
  56 7.99 80
  57 15.09 151
  67 80.47 805
  68 5.92 59
  69 25.44 254
  70 8.88 89
  72 2.96 30
  82 42.01 420
  100 2.96 30
//

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