ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008654
RECORD_TITLE: ACETALDEHYDE DI-CIS-3-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$NAME: ACETALDEHYDE DI-CIS-3-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₂
CH$EXACT_MASS: 226.19328
CH$SMILES: CCC=CCCOC(C)OCCC=CCC
CH$IUPAC: InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6-9,14H,4-5,10-13H2,1-3H3/b8-6-,9-7-
CH$LINK: INCHIKEY KCPFRJBAXWUXIG-VRHVFUOLSA-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$SPLASH: splash10-053r-9100000000-38ccc0731acd50b42f5e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.78 28
  29 3.79 38
  39 4.77 48
  40 1.38 14
  41 23.13 231
  42 1.84 18
  43 3.7 37
  45 1.98 20
  53 3.16 32
  54 2.72 27
  55 55.2 552
  56 3.08 31
  58 1.87 19
  67 8.12 81
  68 1.33 13
  69 3.41 34
  81 1.24 12
  82 6.37 64
  83 99.99 999
  84 6.66 67
  127 34.27 343
  128 2.92 29
//