ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008637
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEXENAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCC=CCC(OCC)OCC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-
CH$LINK: INCHIKEY IOBHVJHSBREPFR-FPLPWBNLSA-N
CH$LINK: COMPTOX DTXSID80888409

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$SPLASH: splash10-0fba-9200000000-c08490ba12f429228ca6
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.31 13
  19 1.88 19
  26 1.14 11
  27 20.4 204
  28 3.41 34
  29 39.98 400
  31 4.42 44
  39 11.1 111
  40 29.55 296
  41 29.55 296
  42 3.53 35
  43 10.03 100
  44 2.79 28
  45 4.97 50
  47 99.99 999
  53 4.67 47
  54 1.66 17
  55 20 200
  56 1.2 12
  57 9.67 97
  59 1.93 19
  67 2.31 23
  69 6.9 69
  70 1.08 11
  72 1.13 11
  75 55.98 560
  76 1.49 15
  81 16.98 170
  82 1.12 11
  83 4.64 46
  85 4.52 45
  103 85.86 859
  104 4.64 46
  127 17.07 171
  128 1.3 13
//