ACCESSION: JP008605
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL DI-CIS-3-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₄O₂
CH$EXACT_MASS: 282.25588
CH$SMILES: CCC=CCCOC(CCCCC)OCCC=CCC
CH$IUPAC: InChI=1S/C18H34O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h7-8,10-11,18H,4-6,9,12-17H2,1-3H3/b10-7-,11-8-
CH$LINK: INCHIKEY UDANAIGXCGUZTC-DEFDFUCDSA-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$SPLASH: splash10-053r-9000000000-272f0839cc2bab2e900e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 5.48 55
  29 6.21 62
  31 2.37 24
  39 5.89 59
  41 31.7 317
  42 3.52 35
  43 4.99 50
  53 3.26 33
  54 2.86 29
  55 60.83 608
  56 4.07 41
  57 3.23 32
  67 11.52 115
  68 1.09 11
  69 2.77 28
  70 1.23 12
  71 1.4 14
  81 1.35 14
  82 8.94 89
  83 99.99 999
  84 6.49 65
  101 1.9 19
  113 1.17 12
  125 3.91 39
  183 10.27 103
  184 1.14 11
//