MassBank Record: JP004895



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

ACCESSION: JP004895
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)HEPTANOATE; 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$NAME: ETHYL 2-ETHOXYCARBONYL-3-(1-PHENETHYL)HEPTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H30O4 CH$EXACT_MASS: 334.21441 CH$SMILES: CCCCC(C(C)c(c1)cccc1)C(C(=O)OCC)C(=O)OCC CH$IUPAC: InChI=1S/C20H30O4/c1-5-8-14-17(15(4)16-12-10-9-11-13-16)18(19(21)23-6-2)20(22)24-7-3/h9-13,15,17-18H,5-8,14H2,1-4H3 CH$LINK: INCHIKEY XCTWZWXHVJCPBJ-UHFFFAOYSA-N
AC$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: splash10-00di-0900000000-124fc8f29449ff081413 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 104 3.2 32 105 28.6 286 106 1.3 13 115 0.2 2 118 26.5 265 119 1.8 18 129 1.1 11 132 0.36 4 133 1.4 14 137 2.8 28 155 2.6 26 159 0.58 6 160 16.8 168 161 21.6 216 162 2.4 24 174 99.99 999 176 1.6 16 183 3.4 34 184 1 10 289 0.49 5 355 0.3 3 //

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