ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005140
RECORD_TITLE: DIMETHYL 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$NAME: DIMETHYL 2-(3,4-DIMETHOXYPHENYL)MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₆
CH$EXACT_MASS: 268.09469
CH$SMILES: COC(=O)C(C(=O)OC)c(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C13H16O6/c1-16-9-6-5-8(7-10(9)17-2)11(12(14)18-3)13(15)19-4/h5-7,11H,1-4H3
CH$LINK: INCHIKEY XAVJSXAJKRURQW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30555336

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$SPLASH: splash10-0aor-1490000000-edcfa8eb01ed9806fe25
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  38 0.52 5
  39 0.71 7
  45 1.03 10
  50 1.12 11
  51 1.47 15
  53 0.65 7
  59 3.23 32
  62 0.57 6
  63 2.34 23
  64 1.63 16
  65 1.28 13
  66 0.6 6
  75 0.77 8
  76 1.22 12
  77 3.26 33
  78 0.93 9
  79 1.75 18
  89 1.16 12
  90 0.82 8
  91 1.03 10
  92 3.3 33
  95 1.08 11
  105 1.28 13
  106 0.82 8
  107 2.47 25
  108 0.55 6
  109 0.49 5
  119 0.75 8
  120 1.38 14
  121 1.02 10
  122 0.41 4
  123 0.74 7
  133 1.18 12
  134 0.85 9
  135 4.69 47
  136 1.42 14
  137 1.52 15
  138 0.62 6
  147 0.48 5
  148 0.64 6
  149 0.6 6
  150 0.61 6
  151 5.72 57
  152 0.76 8
  162 0.52 5
  163 5.75 58
  164 0.93 9
  165 3.91 39
  166 6.6 66
  167 1.22 12
  176 1.76 18
  177 0.7 7
  178 6.98 70
  179 1.59 16
  181 32.08 321
  182 3.87 39
  183 0.46 5
  193 1.29 13
  194 1.18 12
  207 0.69 7
  208 0.62 6
  209 99.99 999
  210 14.17 142
  211 1.82 18
  221 0.45 5
  235 1 10
  236 0.79 8
  253 0.4 4
  268 80.04 800
  269 12.1 121
  270 2.02 20
//