ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005143
RECORD_TITLE: METHYL 2-CYANO-2-(3,4-DIMETHOXYPHENYL)-3-PHENYLPROPIONATE; 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$NAME: METHYL 2-CYANO-2-(3,4-DIMETHOXYPHENYL)-3-PHENYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₉NO₄
CH$EXACT_MASS: 325.13141
CH$SMILES: COc(c2)c(OC)cc(c2)C(C#N)(Cc(c1)cccc1)C(=O)OC
CH$IUPAC: InChI=1S/C19H19NO4/c1-22-16-10-9-15(11-17(16)23-2)19(13-20,18(21)24-3)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
CH$LINK: INCHIKEY CLPZAUNVVJMFAY-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$SPLASH: splash10-001i-3192000000-de82880ff81259e3874e
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  39 0.78 8
  45 1.09 11
  50 0.6 6
  51 1.31 13
  59 0.71 7
  63 1.04 10
  65 2.71 27
  75 0.65 7
  76 0.72 7
  77 1.36 14
  79 0.58 6
  89 1.06 11
  90 0.74 7
  91 36.28 363
  92 3.11 31
  101 0.52 5
  102 0.77 8
  103 0.69 7
  115 0.65 7
  117 1.08 11
  119 0.56 6
  127 0.6 6
  128 0.51 5
  130 0.61 6
  146 0.56 6
  151 0.61 6
  152 1.48 15
  153 1.53 15
  160 1.24 12
  165 1.74 17
  166 0.54 5
  174 0.94 9
  175 1.37 14
  176 2.15 22
  177 1.09 11
  178 0.97 10
  179 0.45 5
  180 0.43 4
  181 0.73 7
  188 3.74 37
  189 0.89 9
  190 1.62 16
  191 2.09 21
  203 5.69 57
  204 1.59 16
  206 1.07 11
  208 0.73 7
  218 0.57 6
  219 1.04 10
  220 0.49 5
  224 0.48 5
  234 99.99 999
  235 14.93 149
  236 1.97 20
  239 0.75 8
  250 0.89 9
  251 0.9 9
  265 0.43 4
  266 4.47 45
  267 1.2 12
  325 33.75 338
  326 7.08 71
  327 1.04 10
//