ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003129
RECORD_TITLE: 3,7-DIMETHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3,7-DIMETHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O4
CH$EXACT_MASS: 206.05791
CH$SMILES: COc(c2)cc(O1)c(c2)C=C(OC)C(=O)1
CH$IUPAC: InChI=1S/C11H10O4/c1-13-8-4-3-7-5-10(14-2)11(12)15-9(7)6-8/h3-6H,1-2H3
CH$LINK: INCHIKEY IAFJNCMUCQDWCR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30346125
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0bt9-0960000000-b870b696fff31418363b
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  92 9 90
  119 2 20
  120 2 20
  135 26 260
  149 6 60
  161 3 30
  163 85 850
  164 8 80
  177 20 200
  191 2 20
  192 3 30
  205 3 30
  206 99.99 999
  207 10 100
//
