MassBank Record: JP009628



 ETHYL 4-BENZOYL-3,5-DIMETHYLBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009628
RECORD_TITLE: ETHYL 4-BENZOYL-3,5-DIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-BENZOYL-3,5-DIMETHYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18O3 CH$EXACT_MASS: 282.12559 CH$SMILES: CCOC(=O)c(c2)cc(C)c(c(C)2)C(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C18H18O3/c1-4-21-18(20)15-10-12(2)16(13(3)11-15)17(19)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3 CH$LINK: INCHIKEY HIUGILYOVQDTAN-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-2290000000-e0ff2ccff89c884e5887 PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 26 1 10 27 5.6 56 29 13 130 39 0.18 2 40 1.1 11 41 1.3 13 43 5.7 57 44 0.31 3 45 2.7 27 51 5.3 53 53 1.4 14 63 0.11 1 65 1.7 17 76 1.7 17 77 40.8 408 78 0.85 9 79 2.6 26 89 1.2 12 91 4.1 41 93 0.18 2 102 1.4 14 103 10.5 105 104 7.9 79 105 4.74 47 106 3.8 38 115 1.1 11 121 3.6 36 131 0.31 3 132 6.8 68 133 4.7 47 149 9.5 95 150 0.2 2 152 1.4 14 165 8.4 84 166 4.3 43 176 0.3 3 177 16.9 169 178 6.6 66 179 3 30 181 0.17 2 191 2.8 28 192 4.8 48 193 4 40 194 0.75 8 195 1.8 18 204 4.4 44 205 23.8 238 206 0.36 4 207 3.2 32 208 16.7 167 209 18.4 184 210 0.36 4 221 2.4 24 222 6 60 223 1.1 11 235 1.29 13 236 8.4 84 237 20.7 207 238 4.7 47 239 0.17 2 250 1.2 12 252 1.7 17 253 4.4 44 254 0.18 2 264 10 100 265 4.2 42 267 6.4 64 268 0.15 2 281 67.2 672 282 99.99 999 283 20.2 202 284 2.6 26 //

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