ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005142
RECORD_TITLE: DIMETHYL 2-BENZYL-2-(3,4-DIMETHOXYPHENYL)MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL 2-BENZYL-2-(3,4-DIMETHOXYPHENYL)MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₂O₆
CH$EXACT_MASS: 358.14164
CH$SMILES: COc(c2)c(OC)cc(c2)C(Cc(c1)cccc1)(C(=O)OC)C(=O)OC
CH$IUPAC: InChI=1S/C20H22O6/c1-23-16-11-10-15(12-17(16)24-2)20(18(21)25-3,19(22)26-4)13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
CH$LINK: INCHIKEY UHEVCYGHLILPDY-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-014i-1292000000-ddaf8abb0b1506938f52
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  39 0.85 9
  43 0.67 7
  45 2.23 22
  51 1.06 11
  59 2.07 21
  63 0.94 9
  65 1.97 20
  75 0.55 6
  76 1.42 14
  77 1.97 20
  78 0.63 6
  79 0.59 6
  89 0.89 9
  91 10.9 109
  92 1.02 10
  102 0.61 6
  103 0.74 7
  104 0.57 6
  105 1.02 10
  107 0.51 5
  115 0.99 10
  119 1.55 16
  120 0.66 7
  121 4.81 48
  122 0.85 9
  127 0.63 6
  128 0.69 7
  133 1.94 19
  134 0.7 7
  135 0.54 5
  137 0.64 6
  139 0.77 8
  141 0.58 6
  151 2.19 22
  152 2.92 29
  153 2.3 23
  154 1 10
  163 1.32 13
  164 0.84 8
  165 10.88 109
  166 2.31 23
  176 0.5 5
  177 0.76 8
  178 1.96 20
  179 1.72 17
  181 8.22 82
  182 1.22 12
  193 2.21 22
  194 0.85 9
  195 0.71 7
  196 0.83 8
  205 0.79 8
  207 1.65 17
  208 2.7 27
  209 2 20
  211 1.45 15
  220 7.77 78
  221 2.8 28
  222 0.6 6
  223 0.5 5
  224 0.79 8
  225 0.74 7
  235 5.41 54
  236 2.88 29
  237 1.25 13
  239 20.01 200
  240 3.94 39
  241 0.79 8
  252 0.76 8
  265 0.53 5
  267 99.99 999
  268 15.94 159
  269 2.63 26
  271 1.96 20
  294 1.37 14
  298 0.56 6
  299 6.15 62
  300 1.35 14
  358 35.85 359
  359 8.29 83
  360 1.36 14
//