ACCESSION: JP009084
RECORD_TITLE: HEXANAL ETHYL 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$NAME: HEXANAL ETHYL TRANS-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCC=CCOC(OCC)CCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h9,11,14H,4-8,10,12-13H2,1-3H3/b11-9+
CH$LINK: INCHIKEY WFWMTYHFABQEGD-PKNBQFBNSA-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$SPLASH: splash10-003r-9000000000-ffb6e79eae319b221e42
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 12.93 129
  29 17.7 177
  31 3.15 32
  39 9.68 97
  41 34.67 347
  42 4.57 46
  43 19.22 192
  44 3.57 36
  45 2 20
  47 7.19 72
  53 2.83 28
  54 8.77 88
  55 56.04 560
  56 4.02 40
  57 11.49 115
  58 1.09 11
  59 2.33 23
  67 16.08 161
  69 1.56 16
  71 3.45 35
  72 1.41 14
  73 1.19 12
  75 12.42 124
  81 1.77 18
  82 20.52 205
  83 99.99 999
  84 7.42 74
  85 6.8 68
  99 6.46 65
  101 1.11 11
  129 23.39 234
  130 1.68 17
  139 2.77 28
  157 1.59 16
//