ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009113
RECORD_TITLE: ACETALDEHYDE 2E-HEXENYL 3Z-HEXENYL 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$NAME: ACETALDEHYDE 2E-HEXENYL 3Z-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₂
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCC([H])=C([H])COC(C)OCCC([H])=C([H])CC
CH$IUPAC: InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6,8-9,11,14H,4-5,7,10,12-13H2,1-3H3/b8-6-,11-9+
CH$LINK: INCHIKEY LNXYMQIPQAMVLK-ZOEDNYEGSA-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$SPLASH: splash10-053r-9000000000-75b23ff8c2fc0e1f6aea
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 5.94 59
  29 6.62 66
  31 1.03 10
  39 7.5 75
  41 31.35 314
  42 2.91 29
  43 5.71 57
  45 3.49 35
  53 3.63 36
  54 5.46 55
  55 54.38 544
  56 4.79 48
  57 3.08 31
  67 8.31 83
  68 1.61 16
  69 3.83 38
  81 1.85 19
  82 8.54 85
  83 99.99 999
  84 7.03 70
  113 1.07 11
  127 8.18 82
//