ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008644
RECORD_TITLE: OCTANAL 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$NAME: OCTANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: CCCCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY BRKIPAWFUDCCOO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2068979

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$SPLASH: splash10-0zi0-9300000000-c52b707990b9a8be9219
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  26 1.09 11
  27 15.79 158
  29 30.49 305
  30 1.06 11
  31 10.52 105
  39 4.37 44
  41 18.51 185
  42 3.42 34
  43 13.22 132
  44 6.71 67
  45 6.92 69
  46 1.22 12
  47 40.65 407
  53 1.3 13
  55 15.83 158
  56 1.93 19
  57 40.53 405
  58 1.97 20
  59 3.21 32
  67 3 30
  68 2.13 21
  69 29.1 291
  70 2.01 20
  71 1.63 16
  72 3.67 37
  75 31.59 316
  81 2.04 20
  82 1.88 19
  83 2.36 24
  85 27.36 274
  86 1.44 14
  99 1.57 16
  103 99.99 999
  104 5.82 58
  111 2.64 26
  113 1.76 18
  156 2.97 30
  157 24.31 243
  158 2.05 21
//