ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008649
RECORD_TITLE: ACETALDEHYDE ETHYL 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$NAME: ACETALDEHYDE ETHYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCCCCOC(C)OCC
CH$IUPAC: InChI=1S/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY YJYLJPSYBMNHTG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60866427

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$SPLASH: splash10-00fv-9000000000-1d0c7482cc053b1dc6fd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.69 17
  26 1.06 11
  27 13.81 138
  29 17.18 172
  31 5.22 52
  39 4.05 41
  41 18.09 181
  42 7.11 71
  43 53.66 537
  44 7.65 77
  45 62.24 622
  46 1.72 17
  47 5.55 56
  55 8.72 87
  56 9.46 95
  57 6.43 64
  61 1.59 16
  69 2.6 26
  72 2.48 25
  73 99.99 999
  74 3.95 40
  75 20.98 210
  84 1.19 12
  85 23.92 239
  86 1.47 15
  103 1.08 11
  113 1.34 13
  129 9.47 95
  159 9.25 93
//