ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009642
RECORD_TITLE: ETHYL 4-METHOXY-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$NAME: ETHYL 4-METHOXY-3,5-DIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₃
CH$EXACT_MASS: 208.10994
CH$SMILES: CCOC(=O)c(c1)cc(C)c(OC)c(C)1
CH$IUPAC: InChI=1S/C12H16O3/c1-5-15-12(13)10-6-8(2)11(14-4)9(3)7-10/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY VTPOFWHQBYJVTQ-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$SPLASH: splash10-08fr-2930000000-7d6bba84fad98e4c7f52
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 2.8 28
  29 3.3 33
  39 2.7 27
  40 0.1 1
  41 1.3 13
  43 2.1 21
  51 2.3 23
  52 0.12 1
  53 1.4 14
  63 1.7 17
  65 3.8 38
  74 0.14 1
  77 6 60
  78 1.4 14
  79 4.9 49
  91 1.2 12
  92 2 20
  103 3.2 32
  104 1.1 11
  105 1.3 13
  106 1.1 11
  119 1.9 19
  120 3.3 33
  121 0.17 2
  135 2.9 29
  136 1.4 14
  149 2.9 29
  163 99.99 999
  164 14 140
  165 6.4 64
  180 15.1 151
  181 0.18 2
  193 7.4 74
  207 1 10
  208 60.6 606
  209 8.3 83
//