MassBank Record: JP004897



 ETHYL 4-BENZYLOXY-2-ETHOXYCARBONYL-3-METHYLPENTANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004897
RECORD_TITLE: ETHYL 4-BENZYLOXY-2-ETHOXYCARBONYL-3-METHYLPENTANOATE; 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$NAME: ETHYL 4-BENZYLOXY-2-ETHOXYCARBONYL-3-METHYLPENTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H26O5 CH$EXACT_MASS: 322.17802 CH$SMILES: CCOC(=O)C(C(=O)OCC)C(C)C(C)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C18H26O5/c1-5-21-17(19)16(18(20)22-6-2)13(3)14(4)23-12-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3 CH$LINK: INCHIKEY BTIHIEFSRAFDKL-UHFFFAOYSA-N
AC$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: splash10-0006-9800000000-8186ebb889702b85855b PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 32 3.4 34 41 2.6 26 43 6.7 67 45 0.34 3 69 10.4 104 73 6.7 67 77 1.8 18 79 0.13 1 85 5.1 51 86 3.8 38 87 11.9 119 88 1.73 17 91 99.99 999 92 26.6 266 97 6.6 66 99 0.32 3 104 1.6 16 105 20.8 208 106 2.6 26 107 0.3 3 108 1.7 17 113 9.2 92 114 8.4 84 115 0.91 9 118 38.5 385 119 19.2 192 132 10.7 107 133 2.54 25 139 5.7 57 141 11.5 115 142 3.2 32 144 0.12 1 145 2.7 27 157 1.9 19 159 2.2 22 160 4.4 44 161 16.2 162 162 2.7 27 185 7 70 187 0.3 3 190 2.7 27 216 1.3 13 277 0.6 6 //

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