ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009288
RECORD_TITLE: ACETALDEHYDE DIISOBUTYL 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$NAME: ACETALDEHYDE DIISOBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CC(C)COC(C)OCC(C)C
CH$IUPAC: InChI=1S/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3
CH$LINK: INCHIKEY KIELJSVPUISYCI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70205247

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$SPLASH: splash10-0a4i-9200000000-2617ab1b5764e58e8a4d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  27 9.9 99
  28 4 40
  29 1.96 20
  31 3.4 34
  33 1 10
  39 7.7 77
  41 2.93 29
  42 3.7 37
  43 9.8 98
  45 34.9 349
  55 0.26 3
  56 5.1 51
  57 99.99 999
  58 7.9 79
  83 0.14 1
  101 47.1 471
  102 3.3 33
  103 1.1 11
  131 0.12 1
  159 3.4 34
//