ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011243
RECORD_TITLE: TRANS-2,3-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$NAME: TRANS-2,3-DIMETHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₄
CH$EXACT_MASS: 208.07356
CH$SMILES: COc(c1)c(OC)c(C=CC(O)=O)cc1
CH$IUPAC: InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
CH$LINK: INCHIKEY QAXPUWGAGVERSJ-VOTSOKGWSA-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$SPLASH: splash10-056r-1930000000-6ef04981d6df349ba6ca
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  39 0.7 7
  41 0.9 9
  43 1 10
  44 0.8 8
  45 1.5 15
  51 0.5 5
  53 0.7 7
  55 2.6 26
  59 2 20
  65 3.1 31
  66 3.3 33
  67 0.5 5
  69 0.6 6
  77 9.6 96
  78 3.7 37
  79 1.8 18
  89 2.2 22
  90 1 10
  91 16.2 162
  92 1.8 18
  93 0.9 9
  94 2.1 21
  95 1 10
  102 1 10
  103 4.9 49
  104 0.9 9
  105 7.6 76
  106 2.5 25
  107 1.2 12
  109 1.8 18
  117 0.9 9
  118 2.9 29
  119 3.1 31
  120 3.1 31
  121 21.6 216
  122 2.6 26
  123 1.1 11
  124 0.7 7
  130 0.7 7
  131 2.8 28
  132 0.9 9
  133 11.9 119
  134 22.1 221
  135 3.1 31
  136 0.6 6
  137 1.2 12
  146 0.8 8
  147 6.4 64
  148 12.8 128
  149 6.7 67
  150 1.5 15
  151 0.5 5
  161 7.1 71
  162 4.8 48
  163 1.3 13
  165 0.6 6
  175 5.3 53
  176 40 400
  177 99.99 999
  178 11.4 114
  179 1.3 13
  191 3.4 34
  192 0.6 6
  193 0.5 5
  207 0.5 5
  208 92.8 928
  209 11.3 113
  210 1.5 15
//