ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008645
RECORD_TITLE: OCTANAL DIALLYL 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$NAME: OCTANAL DIALLYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₂
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCCCCCC(OCC=C)OCC=C
CH$IUPAC: InChI=1S/C14H26O2/c1-4-7-8-9-10-11-14(15-12-5-2)16-13-6-3/h5-6,14H,2-4,7-13H2,1H3
CH$LINK: INCHIKEY GPLKLPLXSJSSJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10992184

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$SPLASH: splash10-002f-9200000000-a7e283353a85169fc51c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 9.76 98
  29 12.96 130
  31 2.23 22
  39 14.75 148
  41 99.99 999
  42 7.38 74
  43 14.13 141
  44 1.52 15
  53 1.54 15
  54 1.24 12
  55 19.07 191
  56 2.89 29
  57 23.31 233
  58 1.55 16
  59 1.23 12
  67 6.88 69
  68 1.26 13
  69 5.45 55
  70 1.06 11
  71 2.36 24
  79 1.29 13
  81 45.31 453
  82 3.47 35
  83 3.81 38
  84 2.49 25
  85 1.16 12
  97 3.69 37
  109 8.54 85
  111 1.06 11
  127 45.67 457
  128 3 30
  169 12.17 122
  170 1.18 12
//