ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008454
RECORD_TITLE: HEPTANAL DIETHYL 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$NAME: HEPTANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₂
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY UGOCNHASEZIJFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060996

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$SPLASH: splash10-0ufv-9400000000-8fb7540495be524254b7
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 1 10
  19 1.11 11
  27 14.91 149
  28 1.92 19
  29 32.19 322
  30 1.09 11
  31 3.81 38
  39 3.68 37
  41 17.89 179
  42 2.44 24
  43 14.1 141
  44 8.02 80
  45 4.6 46
  47 51.27 513
  53 1.25 13
  55 34.69 347
  56 2.05 21
  57 12.4 124
  58 1.63 16
  59 3.38 34
  67 1.26 13
  69 6.17 62
  70 1.05 11
  72 3.5 35
  73 1.12 11
  75 34.91 349
  76 1.07 11
  85 5.69 57
  88 1.93 19
  97 18.45 185
  98 1.32 13
  103 99.99 999
  104 4.92 49
  113 1.23 12
  143 30.05 301
  144 2.82 28
//