ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001405
RECORD_TITLE: ETHYL PIPERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL PIPERATE
CH$NAME: ETHYL 5-(3,4-METHYLENEDIOXYPHENYL)-2,4-PENTADIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O₄
CH$EXACT_MASS: 246.08921
CH$SMILES: CCOC(=O)C=CC=Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C14H14O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3-9H,2,10H2,1H3/b5-3+,6-4+
CH$LINK: INCHIKEY KQDXOQJALDYLMO-GGWOSOGESA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0910000000-e6de72339de461c732cf
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  29 3.1 31
  103 1.7 17
  115 28.9 289
  116 0.62 6
  117 3.3 33
  127 1.2 12
  131 2.2 22
  143 2.81 28
  144 5 50
  145 1.7 17
  159 1.9 19
  171 0.67 7
  172 28.1 281
  173 99.99 999
  174 13.4 134
  175 0.18 2
  187 2.3 23
  199 3 30
  200 1.3 13
  201 1.32 13
  202 1.8 18
  217 6.4 64
  218 1.7 17
  246 7.07 71
  247 11.5 115
  248 1.4 14
//