MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001405
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
//