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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009105

HEXANAL BENZYL PENTYL ACETAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009105
RECORD_TITLE: HEXANAL BENZYL PENTYL 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$NAME: HEXANAL BENZYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H30O2
CH$EXACT_MASS: 278.22458
CH$SMILES: CCCCCOC(CCCCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C18H30O2/c1-3-5-8-14-18(19-15-11-6-4-2)20-16-17-12-9-7-10-13-17/h7,9-10,12-13,18H,3-6,8,11,14-16H2,1-2H3
CH$LINK: INCHIKEY YLHBFFYCNURKLU-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$SPLASH: splash10-0006-9000000000-c28a8282f78e337ff709
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.19 22
  29 3.72 37
  39 1.91 19
  41 5.86 59
  42 1.54 15
  43 13.08 131
  51 1.05 11
  55 3.39 34
  57 5.05 51
  65 3.16 32
  71 2.58 26
  77 1.34 13
  79 1.53 15
  82 1.01 10
  83 4.68 47
  90 1.14 11
  91 99.99 999
  92 10.17 102
  101 2.27 23
  107 1.98 20
  108 1.34 13
  207 3.39 34
//

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