ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008458
RECORD_TITLE: ACETALDEHYDE DIPROPYL 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$NAME: ACETALDEHYDE DIPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₂
CH$EXACT_MASS: 146.13068
CH$SMILES: CCCOC(C)OCCC
CH$IUPAC: InChI=1S/C8H18O2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY MISTZQJSHHTDCF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059325

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$SPLASH: splash10-000e-9000000000-8d3189828acb73877576
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1.87 19
  26 1.41 14
  27 17.85 179
  29 8.4 84
  31 7.92 79
  39 6.61 66
  41 19.01 190
  42 4.95 50
  43 65.74 657
  44 4.78 48
  45 99.99 999
  46 1.95 20
  47 3.05 31
  57 1.09 11
  58 5.11 51
  59 1.63 16
  61 3.09 31
  87 68.27 683
  88 4.14 41
  89 7.04 70
  131 14.24 142
//