ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008640
RECORD_TITLE: TRANS-2-HEXENAL 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$NAME: TRANS-2-HEXENAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCC=CC(OCC)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
CH$LINK: INCHIKEY WMQKYHTZGYIHHD-CMDGGOBGSA-N
CH$LINK: COMPTOX DTXSID50886871

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$SPLASH: splash10-056r-9200000000-df0ab4050243adc6680b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 1.58 16
  26 1.27 13
  27 23.03 230
  28 1.55 16
  29 42.12 421
  30 1.22 12
  31 3.25 33
  39 8.06 81
  40 1.85 19
  41 22.03 220
  42 4.82 48
  43 14.19 142
  44 1.11 11
  45 3.72 37
  47 17.09 171
  51 1.15 12
  53 3.66 37
  55 13.99 140
  56 1.18 12
  57 99.99 999
  58 2.77 28
  67 1.69 17
  68 1.03 10
  69 9.48 95
  70 7.38 74
  71 3.24 32
  73 9.85 99
  75 7.41 74
  81 6.94 69
  83 3.99 40
  85 24.62 246
  86 1.28 13
  87 2.39 24
  97 1.7 17
  98 2.36 24
  99 8.75 88
  101 2.68 27
  103 7.63 76
  115 2.12 21
  116 1.67 17
  127 80.49 805
  128 5.92 59
  129 8.28 83
  130 1.17 12
  143 1.88 19
//