ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001406
RECORD_TITLE: PIPERIC ACID; 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$NAME: PIPERIC ACID
CH$NAME: 5-(3,4-METHYLENEDIOXYPHENYL)-2,4-PENTADIENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O₄
CH$EXACT_MASS: 218.05791
CH$SMILES: OC(=O)C([H])=C([H])C([H])=C([H])c(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
CH$LINK: INCHIKEY RHBGITBPARBDPH-ZPUQHVIOSA-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$SPLASH: splash10-00xr-0900000000-2adbdd22d930c0346074
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  103 3.3 33
  114 3.1 31
  115 66.6 666
  116 1.42 14
  117 6.1 61
  130 3.7 37
  131 4 40
  143 4.19 42
  144 6.9 69
  145 2.5 25
  171 9.1 91
  172 2.45 25
  173 99.99 999
  174 11.5 115
  175 2.9 29
  218 6.57 66
  219 9.4 94
//