ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009868
RECORD_TITLE: 3,4-METHYLENEDIOXYBENZYL PROPIONATE; 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$NAME: 3,4-METHYLENEDIOXYBENZYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O4
CH$EXACT_MASS: 208.07356
CH$SMILES: CCC(=O)OCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C11H12O4/c1-2-11(12)13-6-8-3-4-9-10(5-8)15-7-14-9/h3-5H,2,6-7H2,1H3
CH$LINK: CAS 6890-26-2
CH$LINK: INCHIKEY FVRCUNZJSLRIKU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30218979
AC$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: splash10-0k9i-2920000000-123a01eccdc82b3d6446
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.2 12
  29 8.9 89
  39 2.8 28
  50 1.6 16
  51 10 100
  57 10 100
  63 4 40
  65 7.2 72
  67 2.2 22
  76 6.5 65
  77 14.3 143
  78 1.5 15
  79 1.2 12
  91 1.2 12
  93 7.4 74
  104 6.2 62
  105 6.8 68
  121 5.2 52
  122 8.2 82
  123 5 50
  134 38 380
  135 99.99 999
  136 10 100
  149 8 80
  150 14.2 142
  151 6.5 65
  152 66.5 665
  153 5.8 58
  180 1.8 18
  208 60 600
  209 6.7 67
//
