ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009110
RECORD_TITLE: ACETALDEHYDE BENZYL (E)-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$NAME: ACETALDEHYDE BENZYL (E)-2-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₂
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCC=CCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-3-4-5-9-12-16-14(2)17-13-15-10-7-6-8-11-15/h5-11,14H,3-4,12-13H2,1-2H3/b9-5+
CH$LINK: INCHIKEY DUXYRRLZTBFRPL-WEVVVXLNSA-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$SPLASH: splash10-0006-9000000000-39ead0e2c3bd75007c12
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 5.32 53
  29 4.39 44
  39 7.32 73
  41 15.45 155
  42 3.07 31
  43 5.81 58
  45 1.25 13
  51 2.49 25
  53 1.82 18
  54 2.35 24
  55 21.32 213
  56 3.33 33
  57 2.45 25
  63 1.21 12
  65 7.66 77
  67 3.24 32
  69 1.1 11
  77 4.52 45
  78 1.06 11
  79 4.43 44
  81 2.34 23
  82 2.06 21
  83 19.32 193
  84 3.21 32
  89 1.46 15
  90 2.05 21
  91 99.99 999
  92 23.89 239
  93 1.16 12
  99 6.99 70
  105 2.05 21
  107 7.29 73
  108 1.74 17
  117 1.13 11
  127 5.15 52
  133 1.11 11
  134 2.08 21
  135 2.06 21
  146 1.67 17
  147 1.37 14
//