ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009628
RECORD_TITLE: ETHYL 4-BENZOYL-3,5-DIMETHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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
//