MassBank Record: JP001405



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

ACCESSION: 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$IUPAC: InChI=1S/C14H14O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3-9H,2,10H2,1H3/b5-3+,6-4+
AC$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 //