ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009094
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL DI-TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₄O₂
CH$EXACT_MASS: 282.25588
CH$SMILES: CCCC=CCOC(CCCCC)OCC=CCCC
CH$IUPAC: InChI=1S/C18H34O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h10-11,13-14,18H,4-9,12,15-17H2,1-3H3/b13-10+,14-11+
CH$LINK: INCHIKEY CKGRYWOADIIZMT-IFQMDVHZSA-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$SPLASH: splash10-053r-9000000000-f6a0207259ad5a0d8e51
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 7.17 72
  29 8.58 86
  39 6.73 67
  41 33.34 333
  42 4.05 41
  43 9.36 94
  44 1.36 14
  53 2.34 23
  54 6.87 69
  55 57.05 571
  56 6.13 61
  57 12.02 120
  67 7.94 79
  69 2.27 23
  71 1.97 20
  81 3.99 40
  82 9.51 95
  83 99.99 999
  84 8.37 84
  95 2.14 21
  97 1.15 12
  99 4.43 44
  100 1.22 12
  109 2.26 23
  111 1.03 10
  113 3.01 30
  139 4.4 44
  165 1.38 14
//