ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009239
RECORD_TITLE: ISOPROPYL 2,4-HEXADIENOATE; 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$NAME: ISOPROPYL 2,4-HEXADIENOATE
CH$NAME: ISOPROPYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O₂
CH$EXACT_MASS: 154.09938
CH$SMILES: CC=CC=CC(=O)OC(C)C
CH$IUPAC: InChI=1S/C9H14O2/c1-4-5-6-7-9(10)11-8(2)3/h4-8H,1-3H3/b5-4+,7-6+
CH$LINK: INCHIKEY PERLTXCUPZSJTA-YTXTXJHMSA-N
CH$LINK: COMPTOX DTXSID50204132

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$SPLASH: splash10-0005-9100000000-80735d3f2c93c626c64f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 4.9 49
  26 2.3 23
  27 25.6 256
  29 0.34 3
  31 1.2 12
  37 1.2 12
  38 5.6 56
  39 5.49 55
  41 74.3 743
  42 5.8 58
  43 38.9 389
  44 0.13 1
  45 1.4 14
  50 1.8 18
  51 5.1 51
  52 0.27 3
  53 2.6 26
  55 6.2 62
  56 1.4 14
  59 1.24 12
  63 2.6 26
  65 14.5 145
  66 20.4 204
  67 8.79 88
  68 21.8 218
  69 4.8 48
  70 1.1 11
  81 0.23 2
  83 1.8 18
  84 5 50
  94 1.6 16
  95 99.99 999
  96 7.9 79
  97 92.8 928
  98 5.1 51
  109 0.25 3
  111 7.4 74
  112 39.1 391
  113 2.7 27
  139 0.11 1
  154 21.2 212
  155 1.7 17
//