ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008357
RECORD_TITLE: PHENYLETHYL TRANS-2-HEXENOATE; 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$NAME: PHENYLETHYL TRANS-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₂
CH$EXACT_MASS: 218.13068
CH$SMILES: CCCC=CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4-10H,2-3,11-12H2,1H3/b10-5+
CH$LINK: INCHIKEY CPLGJUPSPDLRLM-BJMVGYQFSA-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$SPLASH: splash10-0udi-6900000000-265495e62735b4196617
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 4.72 47
  39 5.76 58
  41 8.47 85
  42 1.36 14
  51 2.08 21
  53 1.36 14
  55 22.69 227
  65 2.6 26
  68 2.24 22
  69 1.45 15
  77 4.67 47
  78 2.16 22
  79 2.39 24
  91 5.44 54
  97 16.36 164
  98 1.06 11
  103 2.92 29
  104 99.99 999
  105 14.83 148
//