ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004890
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)-5-HEXENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)-5-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₆O₄
CH$EXACT_MASS: 318.18311
CH$SMILES: CCOC(=O)C(C(=O)OCC)C(CC=C)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H26O4/c1-5-11-16(14(4)15-12-9-8-10-13-15)17(18(20)22-6-2)19(21)23-7-3/h5,8-10,12-14,16-17H,1,6-7,11H2,2-4H3
CH$LINK: INCHIKEY HZFSUVIIBNWDEV-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08fr-0910000000-8c57f8c2d40204c8bf5a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  104 2 20
  105 22.1 221
  118 3.4 34
  129 0.14 1
  131 1.3 13
  132 1.8 18
  143 13.7 137
  157 0.14 1
  158 30.6 306
  159 2.5 25
  160 99.99 999
  161 2.16 22
  162 2.9 29
  173 11.1 111
  178 1 10
  184 0.1 1
  185 5.4 54
  198 5.3 53
  213 1.1 11
  214 0.11 1
  227 9.4 94
  228 2.1 21
  230 1 10
  272 0.56 6
  273 11.5 115
  274 3.1 31
  318 10.4 104
//