ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009952
RECORD_TITLE: 1,3-BENZODIOXOL-5-METHYL 1,3-BENZODIOXOLE-5-CARBOXYLATE; 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$NAME: 1,3-BENZODIOXOL-5-METHYL 1,3-BENZODIOXOLE-5-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O₆
CH$EXACT_MASS: 300.06339
CH$SMILES: O=C(OCc(c3)cc(O4)c(OC4)c3)c(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C16H12O6/c17-16(11-2-4-13-15(6-11)22-9-20-13)18-7-10-1-3-12-14(5-10)21-8-19-12/h1-6H,7-9H2
CH$LINK: INCHIKEY FFPTUNHKEQKODI-UHFFFAOYSA-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$SPLASH: splash10-000i-0902000000-47ac2b7065abfc56a763
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  77 11.3 113
  135 99.99 999
  136 11.4 114
  149 3.58 36
  150 11.6 116
  300 35.9 359
//