ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009270
RECORD_TITLE: PROPANAL 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$NAME: PROPANAL DIBENZYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀O₂
CH$EXACT_MASS: 256.14633
CH$SMILES: CCC(OCc(c2)cccc2)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C17H20O2/c1-2-17(18-13-15-9-5-3-6-10-15)19-14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
CH$LINK: INCHIKEY ANNDAFXCWSPYIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50525551

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$SPLASH: splash10-0006-9000000000-92263d5513182be9fc01
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 1.2 12
  29 1.6 16
  39 2.9 29
  41 0.11 1
  51 2.8 28
  63 1.4 14
  65 10.1 101
  77 0.45 5
  78 1.2 12
  79 3 30
  89 1.9 19
  90 0.26 3
  91 99.99 999
  92 26.7 267
  93 1.4 14
  105 0.14 1
  107 8.1 81
  108 1.2 12
  148 1.5 15
  165 0.14 1
  181 2.3 23
//