ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011250
RECORD_TITLE: 3,4,5-TRIMETHOXYCINNAMIC 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$NAME: 3,4,5-TRIMETHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₅
CH$EXACT_MASS: 238.08412
CH$SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O
CH$IUPAC: InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
CH$LINK: INCHIKEY YTFVRYKNXDADBI-SNAWJCMRSA-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$SPLASH: splash10-000i-0290000000-577fe3f81fdd216fe76b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  45 1.4 14
  65 0.8 8
  69 1.5 15
  77 1.5 15
  79 0.9 9
  81 0.8 8
  91 2.7 27
  107 1.3 13
  119 1.2 12
  121 2.2 22
  133 0.8 8
  134 0.8 8
  135 4 40
  136 0.7 7
  137 1.6 16
  139 1.3 13
  145 1.2 12
  147 1 10
  149 1.4 14
  162 1 10
  163 7.3 73
  164 1.4 14
  167 1 10
  177 1.9 19
  178 2.1 21
  180 1.8 18
  181 0.8 8
  191 1.5 15
  192 1.1 11
  195 2.2 22
  208 1.3 13
  221 0.9 9
  222 1.2 12
  223 50.4 504
  224 6.2 62
  225 0.9 9
  238 99.99 999
  239 13.4 134
  240 1.9 19
//