ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009289
RECORD_TITLE: ACETALDEHYDE ISOBUTYL PROPYL 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$NAME: ACETALDEHYDE ISOBUTYL PROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O₂
CH$EXACT_MASS: 160.14633
CH$SMILES: CCCOC(C)OCC(C)C
CH$IUPAC: InChI=1S/C9H20O2/c1-5-6-10-9(4)11-7-8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY ZTFNAAOKRDLYDA-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$SPLASH: splash10-052n-9000000000-797c67ee6f0c92391d50
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  26 1 10
  27 19.6 196
  28 0.54 5
  29 18.6 186
  31 4.8 48
  39 9.9 99
  40 0.13 1
  41 33.5 335
  42 4.6 46
  43 47.4 474
  44 0.19 2
  45 99.99 999
  46 1.8 18
  47 1.4 14
  55 0.16 2
  56 3.8 38
  57 64.7 647
  58 7.6 76
  61 0.19 2
  87 61.6 616
  88 3.5 35
  89 5.4 54
  101 1.76 18
  117 1.9 19
  145 6.5 65
//