ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009257
RECORD_TITLE: ISOVALERALDEHYDE 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$NAME: ISOVALERALDEHYDE DIBENZYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄O₂
CH$EXACT_MASS: 284.17763
CH$SMILES: CC(C)CC(OCc(c2)cccc2)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H24O2/c1-16(2)13-19(20-14-17-9-5-3-6-10-17)21-15-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3
CH$LINK: INCHIKEY JEWZPHLVMXOYOT-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$SPLASH: splash10-0006-9000000000-2b831c0bbb5f6ed97f18
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  29 1.8 18
  39 2.4 24
  41 2.6 26
  51 0.19 2
  65 7.5 75
  77 4.3 43
  79 2.2 22
  89 0.13 1
  90 2.1 21
  91 99.99 999
  92 21.9 219
  93 0.11 1
  105 1.1 11
  107 6.9 69
  108 1.2 12
  133 0.12 1
  181 4.3 43
//