ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000536
RECORD_TITLE: 4-METHOXYCINNAMIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHOXYCINNAMIC ACID
CH$NAME: PARA-METHOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₃
CH$EXACT_MASS: 178.06299
CH$SMILES: COC1=CC=C(C=C1)/C=C/C(=O)O
CH$IUPAC: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
CH$LINK: INCHIKEY AFDXODALSZRGIH-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID1046059

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-004i-0900000000-a59af9ca91b1d5bd7182
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  90 1.32 13
  91 1.94 19
  103 1.5 15
  107 2.26 23
  117 2.14 21
  118 2.71 27
  121 3.58 36
  132 9.22 92
  133 11.55 116
  134 1.16 12
  137 1.21 12
  147 2.72 27
  149 1.13 11
  150 2.03 20
  160 1.55 16
  161 24.17 242
  162 2.89 29
  163 2.72 27
  177 14.69 147
  178 99.99 999
  179 11.54 115
  180 1.07 11
//