ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008606
RECORD_TITLE: HEXANAL TRANS-2-HEXENYL HEXYL 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$NAME: HEXANAL TRANS-2-HEXENYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCOC(CCCCC)OCC=CCCC
CH$IUPAC: InChI=1S/C18H36O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h10,13,18H,4-9,11-12,14-17H2,1-3H3/b13-10+
CH$LINK: INCHIKEY QXRVBRBGBSCHQO-JLHYYAGUSA-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$SPLASH: splash10-053u-9000000000-bccc801630b6fe874155
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 6.89 69
  29 6.83 68
  31 1.49 15
  39 5.58 56
  41 32.19 322
  42 4.47 45
  43 43.14 431
  44 1.57 16
  45 1.72 17
  51 1.27 13
  53 2.32 23
  54 6.87 69
  55 42.91 429
  56 8.24 82
  57 18.35 184
  58 2.27 23
  67 5.21 52
  68 1.27 13
  69 2.05 21
  70 1.44 14
  71 2.44 24
  81 2.26 23
  82 7.7 77
  83 99.99 999
  84 6.84 68
  85 19.9 199
  86 2.16 22
  98 1.13 11
  99 1.72 17
  100 1.78 18
  101 10.11 101
  102 1.21 12
  111 1.55 16
  113 2.06 21
  117 1.68 17
  131 1.62 16
  139 3.7 37
  141 1.8 18
  184 1.29 13
  185 4.79 48
//