ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009284
RECORD_TITLE: PROPANAL DIISOPROPYL 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$NAME: PROPANAL DIISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O₂
CH$EXACT_MASS: 160.14633
CH$SMILES: CCC(OC(C)C)OC(C)C
CH$IUPAC: InChI=1S/C9H20O2/c1-6-9(10-7(2)3)11-8(4)5/h7-9H,6H2,1-5H3
CH$LINK: INCHIKEY OMKOEKNZLXINHM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80963841

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$SPLASH: splash10-0a4l-9000000000-a775da7a22e30a7e3e6f
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 3 30
  26 1.5 15
  27 16.1 161
  28 2.73 27
  29 8.2 82
  31 10.4 104
  32 4.3 43
  39 0.69 7
  41 20.6 206
  42 4.6 46
  43 71.3 713
  44 0.24 2
  45 16.5 165
  47 6.5 65
  57 5.6 56
  58 0.66 7
  59 99.99 999
  60 2.4 24
  75 3.1 31
  89 2.72 27
  90 1.3 13
  101 20.6 206
  102 1.8 18
  131 7.9 79
//