ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008459
RECORD_TITLE: ACETALDEHYDE DIISOAMYL 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$NAME: ACETALDEHYDE DIISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: CC(C)CCOC(C)OCCC(C)C
CH$IUPAC: InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3
CH$LINK: INCHIKEY LXKCTPBHCJDSKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80156296

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$SPLASH: splash10-00dl-9200000000-e100a89de7c676554608
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 7.92 79
  29 8.57 86
  31 2.86 29
  39 5.82 58
  41 16.41 164
  42 6.28 63
  43 61.05 611
  44 4.02 40
  45 7.21 72
  53 1.1 11
  55 13.56 136
  56 1.49 15
  57 1.55 16
  69 1.35 14
  70 6.68 67
  71 99.99 999
  72 6.75 68
  99 1.13 11
  115 45.88 459
  116 3.87 39
  187 7.25 73
//