ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011248
RECORD_TITLE: 3,4-METHYLENEDIOXYCINNAMIC 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$NAME: 3,4-METHYLENEDIOXYCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₄
CH$EXACT_MASS: 192.04226
CH$SMILES: OC(=O)C=Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+
CH$LINK: INCHIKEY QFQYZMGOKIROEC-DUXPYHPUSA-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$SPLASH: splash10-0006-1900000000-7810b08ba8bbae15d0d4
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 1.7 17
  51 0.8 8
  52 1.5 15
  53 0.7 7
  55 0.7 7
  63 3 30
  64 0.9 9
  65 2.1 21
  66 0.8 8
  69 0.9 9
  77 2.8 28
  78 3 30
  79 1.5 15
  88 0.8 8
  89 9.9 99
  90 1.4 14
  91 2.3 23
  93 0.6 6
  105 1.2 12
  106 0.6 6
  117 5.1 51
  118 1.1 11
  119 0.6 6
  121 0.8 8
  133 0.8 8
  134 1 10
  135 1.8 18
  145 10.3 103
  146 6.8 68
  147 2.7 27
  149 0.8 8
  150 1.2 12
  151 0.7 7
  163 1.1 11
  164 1.1 11
  175 11.4 114
  176 1.3 13
  191 39.5 395
  192 99.99 999
  193 11.2 112
  194 1.4 14
//