ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007598
RECORD_TITLE: METHYL 3,4-DIMETHOXYPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,4-DIMETHOXYPHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₄
CH$EXACT_MASS: 210.08921
CH$SMILES: COC(=O)Cc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3
CH$LINK: INCHIKEY DILOFCBIBDMHAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5065982

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-2930000000-7b4ac41c8fa3ca003a4a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 6.6 66
  44 1.89 19
  51 5.28 53
  59 3.96 40
  63 2.83 28
  65 6.6 66
  77 5.66 57
  78 4.15 42
  90 3.21 32
  91 3.4 34
  106 6.6 66
  107 9.43 94
  119 1.52 15
  121 1.14 11
  135 3.21 32
  136 1.33 13
  151 99.99 999
  152 10.37 104
  195 2.08 21
  210 44.08 441
  211 6.04 60
//