ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009286
RECORD_TITLE: PROPANAL BENZYL ISOPROPYL 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$NAME: PROPANAL BENZYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂
CH$EXACT_MASS: 208.14633
CH$SMILES: CCC(OC(C)C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H20O2/c1-4-13(15-11(2)3)14-10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
CH$LINK: INCHIKEY AMCIABLINRQKGJ-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$SPLASH: splash10-0006-9000000000-3b11ef8771d44a867ef2
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 4.8 48
  29 3.1 31
  31 1.9 19
  39 0.45 5
  41 5.5 55
  43 8.1 81
  51 2 20
  57 0.14 1
  59 22.9 229
  63 1.3 13
  65 8.5 85
  77 0.35 4
  79 2.3 23
  89 1.6 16
  90 2.1 21
  91 99.99 999
  92 8.5 85
  101 3.4 34
  107 1.9 19
  108 0.1 1
  148 2.1 21
  179 5.6 56
//