ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009861
RECORD_TITLE: 4-(2-HYDROXYCARBONYL-1-PROPENYL)-1,3-BENZODIOXOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-(2-HYDROXYCARBONYL-1-PROPENYL)-1,3-BENZODIOXOLE
CH$NAME: 3,4-METHYLENEDIOXY-ALPHA-METHYLCINNAMIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O4
CH$EXACT_MASS: 206.05791
CH$SMILES: OC(=O)C(C)=Cc(c2)c(O1)c(cc2)OC1
CH$IUPAC: InChI=1S/C11H10O4/c1-7(11(12)13)5-8-3-2-4-9-10(8)15-6-14-9/h2-5H,6H2,1H3,(H,12,13)/b7-5-
CH$LINK: INCHIKEY GHPDISUPGNPJBE-ALCCZGGFSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-3790000000-eeb1519e3d2e807f8925
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39 3.6 36
  50 3.1 31
  51 9.4 94
  52 0.17 2
  53 2.5 25
  62 2.2 22
  63 4.7 47
  65 0.3 3
  74 2 20
  75 2.5 25
  76 3.1 31
  77 1.44 14
  78 2.8 28
  79 2.7 27
  91 3.3 33
  102 1 10
  103 22.7 227
  104 3.9 39
  105 2.2 22
  130 0.41 4
  131 22.2 222
  132 2.9 29
  135 16.4 164
  147 0.16 2
  151 2.8 28
  159 5.6 56
  160 24.8 248
  161 0.78 8
  189 2.2 22
  205 15.6 156
  206 99.99 999
  207 12.5 125
//
