MassBank Record: JP004894



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

ACCESSION: JP004894
RECORD_TITLE: ETHYL 2-ETHOXYCARBONYL-3-(1-BENZYLOXYETHYL)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$NAME: ETHYL 2-ETHOXYCARBONYL-3-(1-BENZYLOXYETHYL)HEPTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H32O5 CH$EXACT_MASS: 364.22497 CH$SMILES: CCCCC(C(C)OCc(c1)cccc1)C(C(=O)OCC)C(=O)OCC CH$IUPAC: InChI=1S/C21H32O5/c1-5-8-14-18(16(4)26-15-17-12-10-9-11-13-17)19(20(22)24-6-2)21(23)25-7-3/h9-13,16,18-19H,5-8,14-15H2,1-4H3 CH$LINK: INCHIKEY OTGVROSSWUCGBU-UHFFFAOYSA-N
AC$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: splash10-03di-1920000000-d647e8c2230ea89d2fc8 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 81 1.5 15 91 35.1 351 92 15.1 151 96 0.27 3 104 1.3 13 105 7.3 73 109 1.9 19 115 0.94 9 132 3.1 31 133 19.6 196 135 4.1 41 137 2.28 23 146 1 10 147 6.3 63 148 4.2 42 155 1.63 16 158 1 10 160 99.99 999 161 66.3 663 162 0.89 9 163 1.8 18 183 29.2 292 184 3.1 31 201 0.27 3 204 9.8 98 205 1 10 227 23 230 228 0.27 3 229 33.9 339 232 2.7 27 233 1.1 11 257 0.51 5 258 3.4 34 273 7.9 79 319 6.3 63 365 4.2 42 //

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