MassBank Record: JP004890



 ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)-5-HEXENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004890
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)-5-HEXENOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KATO TDEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV., DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)-5-HEXENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H26O4 CH$EXACT_MASS: 318.18311 CH$SMILES: CCOC(=O)C(C(=O)OCC)C(CC=C)C(C)c(c1)cccc1 CH$IUPAC: InChI=1S/C19H26O4/c1-5-11-16(14(4)15-12-9-8-10-13-15)17(18(20)22-6-2)19(21)23-7-3/h5,8-10,12-14,16-17H,1,6-7,11H2,2-4H3 CH$LINK: INCHIKEY HZFSUVIIBNWDEV-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-08fr-0910000000-8c57f8c2d40204c8bf5a PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 104 2 20 105 22.1 221 118 3.4 34 129 0.14 1 131 1.3 13 132 1.8 18 143 13.7 137 157 0.14 1 158 30.6 306 159 2.5 25 160 99.99 999 161 2.16 22 162 2.9 29 173 11.1 111 178 1 10 184 0.1 1 185 5.4 54 198 5.3 53 213 1.1 11 214 0.11 1 227 9.4 94 228 2.1 21 230 1 10 272 0.56 6 273 11.5 115 274 3.1 31 318 10.4 104 //

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