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MassBank Record: JP009089

HEXANAL BENZYL ETHYL ACETAL; EI-B; MS

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

ACCESSION: JP009089
RECORD_TITLE: HEXANAL BENZYL ETHYL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEXANAL BENZYL ETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O2
CH$EXACT_MASS: 236.17763
CH$SMILES: CCCCCC(OCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H24O2/c1-3-5-7-12-15(16-4-2)17-13-14-10-8-6-9-11-14/h6,8-11,15H,3-5,7,12-13H2,1-2H3
CH$LINK: INCHIKEY ZESDQEHIQRRQEU-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9000000000-458ff48878cbb9690f1b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  29 5.27 53
  39 2.05 21
  41 3.93 39
  43 3.58 36
  51 1.24 12
  55 5.91 59
  57 3.47 35
  65 5.12 51
  77 1.62 16
  79 1.23 12
  83 5.58 56
  85 1.33 13
  89 1.09 11
  90 1.44 14
  91 99.99 999
  92 10.11 101
  107 1.56 16
  129 4.54 45
  165 6.37 64
//

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