ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008630
RECORD_TITLE: OCTANAL DIMETHYL 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$NAME: OCTANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCCCCCC(OC)OC
CH$IUPAC: InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
CH$LINK: INCHIKEY BZOOCKAFKVYAOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047520

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$SPLASH: splash10-004i-9000000000-62ad737f155339544622
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 2.83 28
  29 3.91 39
  31 2.03 20
  39 1.75 18
  41 8.78 88
  43 3.9 39
  45 7.89 79
  47 6.28 63
  55 6.75 68
  57 1.29 13
  58 3.42 34
  67 1.04 10
  69 11.88 119
  71 7 70
  75 99.99 999
  76 3.16 32
  111 1.15 12
  143 8.25 83
//