ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010040
RECORD_TITLE: 3,4-(METHYLENEDIOXY)BENZYL 3,4-(METHYLENEDIOXY)-ALPHA-METHYLCINNAMATE; 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$NAME: 3,4-(METHYLENEDIOXY)BENZYL 3,4-(METHYLENEDIOXY)-ALPHA-METHYLCINNAMATE
CH$NAME: 1,3-BENZODIOXOL-5-(2-METHYL-1-PROPENIC ACID)-1,3-BENZODIOXOL-5-METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H16O6
CH$EXACT_MASS: 340.09469
CH$SMILES: O=C(OCc(c3)cc(O4)c(OC4)c3)C(C)=Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C19H16O6/c1-12(6-13-2-4-15-17(7-13)24-10-22-15)19(20)21-9-14-3-5-16-18(8-14)25-11-23-16/h2-8H,9-11H2,1H3/b12-6+
CH$LINK: INCHIKEY UQGWIRIJKQMRHI-WUXMJOGZSA-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$SPLASH: splash10-000i-1902000000-e579ac407345e0d54022
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  51 4.14 41
  77 11.54 115
  79 1.21 12
  103 5.91 59
  105 4.17 42
  131 1.88 19
  135 99.99 999
  137 14.77 148
  149 2.73 27
  159 1.93 19
  160 1.6 16
  161 1.87 19
  162 1.76 18
  175 4.15 42
  189 4.36 44
  190 1.87 19
  204 2.48 25
  205 3.17 32
  295 3.98 40
  296 1.61 16
  322 1.18 12
  340 26.8 268
  341 5.55 56
//
