ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007073
RECORD_TITLE: TRANS,TRANS-2,4-HEXADIENYL ACETATE; 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$NAME: TRANS,TRANS-2,4-HEXADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₂
CH$EXACT_MASS: 140.08373
CH$SMILES: CC=CC=CCOC(C)=O
CH$IUPAC: InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
CH$LINK: INCHIKEY PXVKYPFROMBALG-VNKDHWASSA-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$SPLASH: splash10-0006-9000000000-f433eb484f94ecf93aba
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 4.54 45
  27 7.74 77
  29 3.25 33
  38 1.2 12
  39 14.82 148
  40 2.7 27
  41 23.38 234
  42 3.5 35
  43 99.99 999
  44 2.13 21
  50 1.49 15
  51 3.65 37
  52 3.07 31
  53 8.97 90
  54 1.7 17
  55 3.88 39
  56 1.14 11
  63 1.06 11
  65 4.32 43
  66 2.76 28
  67 2.01 20
  69 7.45 75
  70 1.83 18
  77 5.14 51
  78 1.4 14
  79 31.07 311
  80 12.53 125
  81 18.27 183
  82 1.59 16
  83 4.16 42
  97 5.03 50
  98 8.23 82
  140 16.87 169
  141 1.29 13
//