ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007593
RECORD_TITLE: 3,4-DIMETHOXYBENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,4-DIMETHOXYBENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O4
CH$EXACT_MASS: 210.08921
CH$SMILES: COc(c1)c(OC)cc(COC(C)=O)c1
CH$IUPAC: InChI=1S/C11H14O4/c1-8(12)15-7-9-4-5-10(13-2)11(6-9)14-3/h4-6H,7H2,1-3H3
CH$LINK: INCHIKEY KQWHHDCWLCCRLQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80202025
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$SPLASH: splash10-0w29-2930000000-08854fe74f7f55ceae17
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.01 30
  39 5.01 50
  43 22.63 226
  51 5.41 54
  53 2.61 26
  63 2.81 28
  65 7.32 73
  77 8.72 87
  79 6.72 67
  90 4.41 44
  93 5.41 54
  106 10.32 103
  107 16.93 169
  120 4.21 42
  121 3.81 38
  136 18.33 183
  137 17.13 171
  151 99.99 999
  152 12.62 126
  165 4.31 43
  168 38.54 385
  179 1.41 14
  180 1.01 10
  192 3.41 34
  210 68.77 688
  211 8.62 86
//
