ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009271
RECORD_TITLE: PROPANAL 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$NAME: PROPANAL BENZYL ETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₂
CH$EXACT_MASS: 194.13068
CH$SMILES: CCOC(CC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O2/c1-3-12(13-4-2)14-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
CH$LINK: INCHIKEY CJUFJTXKBQQYSD-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$SPLASH: splash10-0006-9000000000-688d150dba7b720e910c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 3.2 32
  29 7.3 73
  31 3 30
  39 0.3 3
  41 2.2 22
  51 2.3 23
  57 1.3 13
  59 1.64 16
  63 1.5 15
  65 8.9 89
  77 2.6 26
  79 0.13 1
  87 9.1 91
  89 1.9 19
  90 2.4 24
  91 99.99 999
  92 9.7 97
  148 2.5 25
  165 6.4 64
//