ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008528
RECORD_TITLE: CIS-3-HEXENYL 3-PHENYLPROPENOATE; 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$NAME: CIS-3-HEXENYL 3-PHENYLPROPENOATE
CH$NAME: CIS-3-HEXENYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈O₂
CH$EXACT_MASS: 230.13068
CH$SMILES: CCC=CCCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3/b4-3-,12-11+
CH$LINK: INCHIKEY FKWGVMQNGUQXDN-FECXASIGSA-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$SPLASH: splash10-001i-9500000000-066414433e78dcbf98fe
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 8.06 81
  29 2.14 21
  39 10.6 106
  41 20.51 205
  42 1.67 17
  50 2.81 28
  51 12.28 123
  52 1.79 18
  53 5.04 50
  55 7.43 74
  63 1.75 18
  65 1.21 12
  67 48.58 486
  68 2.22 22
  74 1.18 12
  75 1.72 17
  76 2.82 28
  77 33.49 335
  78 2.19 22
  79 1.31 13
  81 3.21 32
  82 99.99 999
  83 6.02 60
  92 1.13 11
  102 9.21 92
  103 45.81 458
  104 3.52 35
  131 90.4 904
  132 8.36 84
  147 6.77 68
  148 5.52 55
  149 11.26 113
//