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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009086

HEXANAL BENZYL HEXYL ACETAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009086
RECORD_TITLE: HEXANAL BENZYL HEXYL 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$NAME: HEXANAL BENZYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32O2
CH$EXACT_MASS: 292.24023
CH$SMILES: CCCCCCOC(CCCCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H32O2/c1-3-5-7-12-16-20-19(15-9-6-4-2)21-17-18-13-10-8-11-14-18/h8,10-11,13-14,19H,3-7,9,12,15-17H2,1-2H3
CH$LINK: INCHIKEY VTDFABSNRXBZMU-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$SPLASH: splash10-0006-9000000000-0436fd6dd8c45fa06447
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.55 26
  29 3.31 33
  39 2.06 21
  41 7.5 75
  42 1.67 17
  43 15.83 158
  55 3.76 38
  56 1.91 19
  57 5.36 54
  65 2.69 27
  77 1.35 14
  79 1.87 19
  82 1.45 15
  83 4.73 47
  85 2.19 22
  90 1.06 11
  91 99.99 999
  92 10.14 101
  101 2.12 21
  107 2.15 22
  108 1.51 15
  221 2.27 23
//

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