ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011305
RECORD_TITLE: 4-HYDROXY-3-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$NAME: 4-HYDROXY-3-METHOXYCINNAMIC ACID
CH$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 1135-24-6
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$SPLASH: splash10-0006-2900000000-8db541bacfe47b9e0c8b
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  15 2.31 23
  29 1.18 12
  39 2.47 25
  41 1 10
  45 3.34 33
  50 2.53 25
  51 6.16 62
  52 2.91 29
  53 2.39 24
  55 2.84 28
  62 1.81 18
  63 4.01 40
  65 2.21 22
  66 1.17 12
  67 3.03 30
  69 2.15 22
  76 1.09 11
  77 8.9 89
  78 4.8 48
  79 2.57 26
  81 1.37 14
  89 6.09 61
  91 1.8 18
  95 4.82 48
  105 7.95 80
  106 2.33 23
  107 5.22 52
  109 1.93 19
  117 4.31 43
  118 1.56 16
  123 4.93 49
  133 17.75 178
  134 5.95 60
  135 1.63 16
  137 1.09 11
  145 5.74 57
  148 4.3 43
  149 3.19 32
  150 1.24 12
  151 6.68 67
  152 1.06 11
  161 4.67 47
  163 1.09 11
  170 1.15 12
  177 8.98 90
  178 1.35 14
  179 20.73 207
  180 2.22 22
  193 6.66 67
  194 99.99 999
  195 11.69 117
  196 1.45 15
//