ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009238
RECORD_TITLE: PROPYL 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$NAME: PROPYL 2,4-HEXADIENOATE
CH$NAME: PROPYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O₂
CH$EXACT_MASS: 154.09938
CH$SMILES: CC=CC=CC(=O)OCCC
CH$IUPAC: InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+
CH$LINK: INCHIKEY JAVXBQKCKGHZHM-TWTPFVCWSA-N
CH$LINK: COMPTOX DTXSID80883111

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$SPLASH: splash10-0002-9100000000-87222008d88a3cbd548d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  16 2.3 23
  26 2.2 22
  27 2.54 25
  29 6.3 63
  31 2 20
  38 3.6 36
  39 4.43 44
  41 69.2 692
  42 4.3 43
  43 15.3 153
  50 0.16 2
  51 4.2 42
  52 2.4 24
  53 2.5 25
  55 0.41 4
  56 1.2 12
  57 1.1 11
  59 1.3 13
  62 0.1 1
  63 2.5 25
  65 14.4 144
  66 17.5 175
  67 9.12 91
  68 7.6 76
  69 2.2 22
  81 2 20
  83 0.17 2
  84 3.7 37
  94 1.8 18
  95 99.99 999
  96 0.62 6
  97 87.2 872
  98 4.3 43
  100 1.2 12
  111 0.38 4
  112 45.5 455
  113 4 40
  139 1.7 17
  154 1.58 16
  155 1.7 17
//