MassBank Record: JP001406



 PIPERIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$IUPAC: InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
AC$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 //