ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011246
RECORD_TITLE: 3,4-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$NAME: 3,4-DIMETHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₄
CH$EXACT_MASS: 208.07356
CH$SMILES: COc(c1)c(OC)cc(C=CC(O)=O)c1
CH$IUPAC: InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
CH$LINK: INCHIKEY HJBWJAPEBGSQPR-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$SPLASH: splash10-0a4i-2490000000-78337df021d790d76264
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  55 2.3 23
  59 1.2 12
  65 1.3 13
  66 1.7 17
  69 1.5 15
  77 5.6 56
  78 1.3 13
  79 1.7 17
  89 1.2 12
  91 6.1 61
  94 1.6 16
  95 1.9 19
  103 3.8 38
  105 2.4 24
  109 1.5 15
  117 1.1 11
  119 4 40
  121 1.2 12
  123 2.6 26
  133 5.1 51
  134 1.1 11
  137 1.8 18
  147 5 50
  148 1.3 13
  161 4.2 42
  162 1.3 13
  163 1.1 11
  165 1.1 11
  191 2.6 26
  192 1.1 11
  193 16.6 166
  194 2.1 21
  207 1.4 14
  208 99.99 999
  209 12.1 121
  210 1.6 16
//