ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005137
RECORD_TITLE: METHYL 3-PHENYL-2-(3,4-DIMETHOXYPHENYL)PROPIONATE; 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$NAME: METHYL 3-PHENYL-2-(3,4-DIMETHOXYPHENYL)PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀O₄
CH$EXACT_MASS: 300.13616
CH$SMILES: COC(=O)C(Cc(c2)cccc2)c(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C18H20O4/c1-20-16-10-9-14(12-17(16)21-2)15(18(19)22-3)11-13-7-5-4-6-8-13/h4-10,12,15H,11H2,1-3H3
CH$LINK: INCHIKEY PTHKYMVDSUZYTR-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$SPLASH: splash10-0a4i-2492000000-f272a500bdd26cf331f2
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  39 0.91 9
  43 0.43 4
  45 0.9 9
  50 0.44 4
  51 1.77 18
  52 0.47 5
  58 0.44 4
  59 0.39 4
  63 1.59 16
  64 1.18 12
  65 2.6 26
  75 0.53 5
  76 1.6 16
  77 3.25 33
  78 1.36 14
  79 0.54 5
  89 1.45 15
  90 0.66 7
  91 9.7 97
  92 1.23 12
  102 0.71 7
  103 1.73 17
  104 0.42 4
  105 1.05 11
  107 0.64 6
  115 0.96 10
  120 1.06 11
  121 0.58 6
  127 0.54 5
  128 1.16 12
  133 0.4 4
  135 1.48 15
  136 0.54 5
  137 0.58 6
  138 0.44 4
  141 0.45 5
  149 0.43 4
  150 0.41 4
  151 3.78 38
  152 1.97 20
  153 1.5 15
  154 0.63 6
  155 0.84 8
  163 2.5 25
  164 0.95 10
  165 4.91 49
  166 5.34 53
  167 0.96 10
  168 0.4 4
  177 0.64 6
  178 3.8 38
  179 1.46 15
  181 20.59 206
  182 2.53 25
  183 0.7 7
  193 0.69 7
  194 1.2 12
  195 0.83 8
  209 99.99 999
  210 14.38 144
  211 2.15 22
  225 0.45 5
  226 0.95 10
  239 0.6 6
  240 0.58 6
  241 8.6 86
  242 1.38 14
  300 31.38 314
  301 6.64 66
  302 0.88 9
//