ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008636
RECORD_TITLE: PROPANAL DIETHYL 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$NAME: PROPANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O₂
CH$EXACT_MASS: 132.11503
CH$SMILES: CCOC(CC)OCC
CH$IUPAC: InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY MBNMGGKBGCIEGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8063593

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$SPLASH: splash10-0a71-9100000000-0dfc839fd0b04b6474be
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.44 24
  19 1.63 16
  26 2.56 26
  27 22.83 228
  29 38.72 387
  30 3.03 30
  31 30.05 301
  39 2.75 28
  41 11.24 112
  42 1.57 16
  43 4.8 48
  45 8.43 84
  47 62.24 622
  57 17.45 175
  58 9.71 97
  59 99.99 999
  60 2.83 28
  75 36.15 362
  76 1.15 12
  78 1.28 13
  86 4.45 45
  87 67.39 674
  88 3.65 37
  103 48.17 482
  104 2.14 21
//