ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011244
RECORD_TITLE: TRANS-2,4-DIMETHOXYCINNAMIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-2,4-DIMETHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₄
CH$EXACT_MASS: 208.07356
CH$SMILES: COc(c1)cc(OC)c(C=CC(O)=O)c1
CH$IUPAC: InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
CH$LINK: INCHIKEY YIKHDPHTFYWYJV-GQCTYLIASA-N

AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$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$SPLASH: splash10-0a4i-1960000000-4c965573e9621b83891b
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  41 0.8 8
  43 0.9 9
  44 0.6 6
  45 0.7 7
  53 0.6 6
  55 1.5 15
  57 0.5 5
  59 0.9 9
  65 1.5 15
  66 1 10
  69 1.2 12
  77 5.6 56
  78 2.1 21
  79 2.2 22
  85 1.1 11
  89 1 10
  90 1.2 12
  91 4.2 42
  92 0.9 9
  93 0.4 4
  94 1.5 15
  95 1.1 11
  103 2.3 23
  104 0.6 6
  105 3.4 34
  106 1 10
  107 1 10
  108 0.8 8
  109 0.9 9
  117 0.6 6
  118 1.6 16
  119 1.8 18
  120 1 10
  121 27.1 271
  122 2.7 27
  123 0.5 5
  124 4.6 46
  125 0.6 6
  131 1 10
  132 0.7 7
  133 9.2 92
  134 2.5 25
  135 2.2 22
  136 0.6 6
  137 1.6 16
  147 2.2 22
  148 8.1 81
  149 33.8 338
  150 5.1 51
  151 1.3 13
  161 4.8 48
  162 2.8 28
  163 1.8 18
  164 0.5 5
  165 0.8 8
  176 3.9 39
  177 26.4 264
  178 3 30
  179 0.5 5
  191 6.1 61
  192 1 10
  193 0.4 4
  207 1.3 13
  208 99.99 999
  209 12.3 123
  210 1.5 15
//