ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009109
RECORD_TITLE: ACETALDEHYDE DI-TRANS-2-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$NAME: ACETALDEHYDE DI-TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₂
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCC=CCOC(C)OCC=CCCC
CH$IUPAC: InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3/b10-8+,11-9+
CH$LINK: INCHIKEY FVXJKQGRPGCDDF-GFULKKFKSA-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$SPLASH: splash10-053r-9000000000-a5c0b0886655310e79a7
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 9.98 100
  29 11.09 111
  39 11.06 111
  41 40.23 402
  42 6.23 62
  43 10.57 106
  44 1.09 11
  45 4.41 44
  53 4.88 49
  54 11.68 117
  55 69.23 692
  56 9.4 94
  57 15.24 152
  58 1.01 10
  67 10.63 106
  68 1.09 11
  69 3.61 36
  71 1.96 20
  81 6.02 60
  82 11.89 119
  83 99.99 999
  84 9.92 99
  85 1.36 14
  97 1.45 15
  99 6.87 69
  100 1.52 15
  109 1.09 11
  113 1.26 13
  126 1.79 18
  127 7.36 74
  138 1.75 18
  139 1.78 18
//