ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007239
RECORD_TITLE: 3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOICACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOICACID
CH$NAME: FERULIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COc(c1)c(O)ccc(C=CC(O)=O)1
CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
CH$LINK: CAS 1135-24-6
CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID70892035

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-1900000000-5dffac87fe7c815de4ce
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  53 0.8 8
  55 2.8 28
  65 0.8 8
  67 0.12 1
  69 1.6 16
  77 9.6 96
  78 2.8 28
  79 0.12 1
  89 2.8 28
  91 1.6 16
  95 2.8 28
  105 0.36 4
  107 7.2 72
  119 1.2 12
  123 1.6 16
  133 15.6 156
  134 0.24 2
  135 11.6 116
  145 2.4 24
  148 1.6 16
  149 0.24 2
  150 18.8 188
  151 4.4 44
  161 2 20
  177 0.72 7
  179 18.8 188
  180 0.8 8
  193 4.8 48
  194 99.99 999
  195 10.8 108
//