ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008453
RECORD_TITLE: TRANS-2-HEXENAL 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$NAME: TRANS-2-HEXENAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCC=CC(OC)OC
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
CH$LINK: INCHIKEY OSVRJMZINDGZFB-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID90885025

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$SPLASH: splash10-0229-9400000000-22c85836a3bc85149cc5
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 1.63 16
  27 5.69 57
  29 7.53 75
  31 2.19 22
  39 11.28 113
  40 1.23 12
  41 25.2 252
  42 2.18 22
  43 2.06 21
  45 8.06 81
  47 3.64 36
  51 1.35 14
  53 4.16 42
  54 1.51 15
  55 11.4 114
  56 1.76 18
  57 1.16 12
  58 1.27 13
  59 3.59 36
  67 2.18 22
  68 1.16 12
  69 11.04 110
  71 99.99 999
  72 4.6 46
  75 34.61 346
  76 1.01 10
  77 1.01 10
  79 2.25 23
  81 7.08 71
  82 1.09 11
  84 4.26 43
  85 1.89 19
  88 2.82 28
  97 2.48 25
  101 39.39 394
  102 3.27 33
  112 1.29 13
  113 71.35 714
  114 5.53 55
  115 17.36 174
  116 1.04 10
  143 2.04 20
//