ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011308
RECORD_TITLE: 3-HYDROXY-4-METHOXYCINNAMIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-HYDROXY-4-METHOXYCINNAMIC ACID
CH$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 537-73-5
CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID70892035

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-2900000000-a338415bd30d4e62e664
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.63 16
  39 2.52 25
  41 1.07 11
  45 2.02 20
  50 2.11 21
  51 5.71 57
  52 2.52 25
  53 1.68 17
  55 2.65 27
  62 1.19 12
  63 2.97 30
  65 1.69 17
  67 2.8 28
  69 2.03 20
  77 7.57 76
  78 4.06 41
  79 2.17 22
  81 1.08 11
  89 4.99 50
  91 1.67 17
  95 4.52 45
  105 6.61 66
  106 1.77 18
  107 4.72 47
  109 1.44 14
  117 2.15 22
  123 4.39 44
  133 13.59 136
  134 5.09 51
  145 1.02 10
  147 2.61 26
  148 2.73 27
  149 2.95 30
  151 5.08 51
  161 2.65 27
  177 17.67 177
  178 2.12 21
  179 20.38 204
  180 3.16 32
  193 2.81 28
  194 99.99 999
  195 22.11 221
  196 2.66 27
//