ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009106
RECORD_TITLE: ACETALDEHYDE 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$NAME: ACETALDEHYDE BENZYL ETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₂
CH$EXACT_MASS: 180.11503
CH$SMILES: CCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-3-12-10(2)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
CH$LINK: INCHIKEY QZLCHWYDADOBGM-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$SPLASH: splash10-0006-9100000000-1f7ed55933e9332506e1
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.71 17
  29 7.32 73
  31 2.36 24
  39 4.48 45
  41 1.37 14
  43 9.45 95
  44 6.15 62
  45 40.33 403
  46 1.08 11
  50 2.01 20
  51 4.54 45
  52 1.47 15
  63 2.45 25
  65 11.82 118
  72 2.6 26
  73 26.46 265
  74 1.18 12
  77 8.4 84
  78 1.76 18
  79 5.2 52
  89 3.95 40
  90 3.71 37
  91 99.99 999
  92 17.62 176
  105 3.21 32
  106 1.82 18
  107 3.63 36
  108 3.61 36
  133 2.16 22
  134 22.84 228
  135 4 40
//