ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009285
RECORD_TITLE: PROPANAL ETHYL 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$NAME: PROPANAL ETHYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₂
CH$EXACT_MASS: 146.13068
CH$SMILES: CCOC(CC)OC(C)C
CH$IUPAC: InChI=1S/C8H18O2/c1-5-8(9-6-2)10-7(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY ITHBKLPXPKVPOR-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$SPLASH: splash10-056r-9000000000-bc3640401f79c40c0f09
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 1.5 15
  15 3.4 34
  19 1.2 12
  26 0.18 2
  27 20 200
  28 3.1 31
  29 25.4 254
  30 0.16 2
  31 15.9 159
  39 5.7 57
  40 1.2 12
  41 1.47 15
  42 3.8 38
  43 28 280
  44 1.5 15
  45 1.06 11
  47 42 420
  57 7.1 71
  58 4.6 46
  59 99.99 999
  60 3 30
  75 61.2 612
  76 1.8 18
  87 3.45 35
  88 1.8 18
  101 10.1 101
  117 11.5 115
//