ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009092
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL 2E-HEXENYL 3Z-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₄O₂
CH$EXACT_MASS: 282.25588
CH$SMILES: CCCC=CCOC(CCCCC)OCCC=CCC
CH$IUPAC: InChI=1S/C18H34O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h7,10-11,14,18H,4-6,8-9,12-13,15-17H2,1-3H3/b10-7-,14-11+
CH$LINK: INCHIKEY HNIIEWOWRPNMNR-BXHQFMRESA-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$SPLASH: splash10-053r-9000000000-2c06d8b8e530cc5c6247
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 5.22 52
  29 6.54 65
  31 1.21 12
  39 5.38 54
  41 26.29 263
  42 2.48 25
  43 5.29 53
  44 1.06 11
  53 2 20
  54 2.78 28
  55 50.31 503
  56 3.25 33
  57 5.01 50
  67 8.81 88
  68 1.14 11
  69 1.99 20
  71 1.15 12
  81 1.67 17
  82 8.01 80
  83 99.99 999
  84 7.29 73
  99 1.5 15
  101 1.68 17
  113 2.31 23
  139 1.14 11
  183 2.05 21
//