ACCESSION: JP009103
RECORD_TITLE: HEXANAL BENZYL 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$NAME: HEXANAL BENZYL TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: CCCC=CCOC(CCCCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H30O2/c1-3-5-7-12-16-20-19(15-9-6-4-2)21-17-18-13-10-8-11-14-18/h7-8,10-14,19H,3-6,9,15-17H2,1-2H3/b12-7+
CH$LINK: INCHIKEY FQKZBNBSOLKMFF-KPKJPENVSA-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$SPLASH: splash10-0006-9000000000-5528ec7a2e3375a75264
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 3.77 38
  29 2.99 30
  39 3.97 40
  41 16.98 170
  42 1.86 19
  43 4.28 43
  51 1.45 15
  53 1.78 18
  54 1.81 18
  55 23.97 240
  56 2.86 29
  57 3.89 39
  65 4.13 41
  67 3.06 31
  69 1.33 13
  77 2.79 28
  79 3.4 34
  81 2.2 22
  82 3.91 39
  83 36.92 369
  84 2.91 29
  89 1.08 11
  90 1.6 16
  91 99.99 999
  92 15.38 154
  99 4.44 44
  105 1.67 17
  107 4.17 42
  108 2.32 23
  113 3 30
  117 1.49 15
  139 1.53 15
//