ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009102
RECORD_TITLE: HEXANAL DIBENZYL 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$NAME: HEXANAL DIBENZYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆O₂
CH$EXACT_MASS: 298.19328
CH$SMILES: CCCCCC(OCc(c2)cccc2)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C20H26O2/c1-2-3-6-15-20(21-16-18-11-7-4-8-12-18)22-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3
CH$LINK: INCHIKEY KSUZGVFZLVNEAN-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$SPLASH: splash10-0006-9000000000-b8542136bcd0cf56544d
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.57 16
  29 1.07 11
  39 2.27 23
  41 1.73 17
  43 1.81 18
  51 1.75 18
  65 5.67 57
  77 2.8 28
  79 2.84 28
  89 1.26 13
  90 1.18 12
  91 99.99 999
  92 18.67 187
  93 1.11 11
  105 1.46 15
  107 5.81 58
  108 1.92 19
  181 2.99 30
//