ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008668
RECORD_TITLE: ACETALDEHYDE BENZYL HEXYL 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$NAME: ACETALDEHYDE BENZYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.17763
CH$SMILES: CCCCCCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H24O2/c1-3-4-5-9-12-16-14(2)17-13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3
CH$LINK: INCHIKEY NDKDGYQWVJSTOP-UHFFFAOYSA-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$SPLASH: splash10-0006-9100000000-ca401fd08b77f936762c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 1.06 11
  26 1.24 12
  27 11.77 118
  29 10.76 108
  31 3.92 39
  38 1 10
  39 7.43 74
  41 20.37 204
  42 6.86 69
  43 59.87 599
  44 3.84 38
  45 5.11 51
  50 2.24 22
  51 5.59 56
  52 1.51 15
  53 1.89 19
  55 10.93 109
  56 13.83 138
  57 5.98 60
  63 1.8 18
  65 6.55 66
  69 4.56 46
  77 11.63 116
  78 2.05 21
  79 12.92 129
  80 1.04 10
  82 2.58 26
  83 1.53 15
  84 2.34 23
  85 18.42 184
  89 2.05 21
  90 2.46 25
  91 99.99 999
  92 17.67 177
  93 1 10
  105 4.03 40
  106 2.4 24
  107 6.4 64
  108 10.23 102
  113 2.99 30
  129 1.68 17
  133 2.22 22
  134 18.13 181
  135 5.14 51
//