ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006835
RECORD_TITLE: PHENYLETHYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLETHYL CROTONATE
CH$NAME: PHENETHYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₂
CH$EXACT_MASS: 190.09938
CH$SMILES: CC=CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h2-8H,9-10H2,1H3/b6-2+
CH$LINK: INCHIKEY DVHGIHSWUYRIPZ-QHHAFSJGSA-N
CH$LINK: COMPTOX DTXSID60887218

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$SPLASH: splash10-0uxr-9700000000-4cb793afcc3824caaf11
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 2.36 24
  38 1.31 13
  39 16.92 169
  41 21.11 211
  50 1.3 13
  51 4.71 47
  52 1.06 11
  63 1.91 19
  65 6.57 66
  68 1.1 11
  69 56.82 568
  70 2.12 21
  77 7.38 74
  78 4.96 50
  79 2.8 28
  89 1.26 13
  91 10.91 109
  92 1.24 12
  103 4.86 49
  104 99.99 999
  105 12.71 127
//