ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008643
RECORD_TITLE: TRANS-2-OCTENAL 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$NAME: TRANS-2-OCTENAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCC=CC(OCC)OCC
CH$IUPAC: InChI=1S/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3/b11-10+
CH$LINK: INCHIKEY VTQPINQQQFJLGG-ZHACJKMWSA-N

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$SPLASH: splash10-0a4i-9400000000-7dff7aafcf5923c4de15
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 14.2 142
  29 34.73 347
  31 3.66 37
  39 7.17 72
  40 1.34 13
  41 22.02 220
  42 3.71 37
  43 13.77 138
  44 1.24 12
  45 4.31 43
  47 15.54 155
  51 1 10
  53 4.29 43
  54 1.45 15
  55 23.36 234
  56 2.39 24
  57 61.29 613
  58 2.38 24
  59 4.06 41
  60 1.1 11
  65 1.07 11
  67 15.74 157
  68 1.99 20
  69 11.76 118
  70 13.34 133
  71 3.94 39
  73 13.31 133
  75 9.54 95
  77 1 10
  79 1.76 18
  81 3.94 39
  82 1.43 14
  83 12.6 126
  84 1.73 17
  85 54.36 544
  86 3.47 35
  87 2.96 30
  95 1.43 14
  97 1.67 17
  98 5.48 55
  99 2.77 28
  101 5.31 53
  103 16.33 163
  109 16.29 163
  110 2.01 20
  111 3.13 31
  115 1.23 12
  116 2.04 20
  127 2.26 23
  129 26.33 263
  130 2.35 24
  143 3.72 37
  154 1.45 15
  155 99.99 999
  156 10.1 101
  157 1.19 12
  199 1 10
  200 1.05 11
//