ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008631
RECORD_TITLE: NONANAL 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$NAME: NONANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₂
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCCCCCC(OC)OC
CH$IUPAC: InChI=1S/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY LYLVOCPDQAOQKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8066424

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$SPLASH: splash10-004i-9000000000-323f734751d631abb1c2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.16 12
  27 4.51 45
  29 6.17 62
  31 3.69 37
  39 3.05 31
  41 13.37 134
  42 1.43 14
  43 4.93 49
  45 7.02 70
  47 5.66 57
  55 7.01 70
  57 2.71 27
  58 5.44 54
  67 1.41 14
  68 1.06 11
  69 8.84 88
  71 20.19 202
  75 99.99 999
  76 3.19 32
  81 1.28 13
  82 1.22 12
  83 4.64 46
  157 6.32 63
//