MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003121

4-METHOXYFURO(3',2':6,7)COUMARIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003121
RECORD_TITLE: 4-METHOXYFURO(3',2':6,7)COUMARIN; 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

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CH$NAME: 4-METHOXYFURO(3',2':6,7)COUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈O₄
CH$EXACT_MASS: 216.04226
CH$SMILES: COC(=C3)c(c1)c(OC(=O)3)cc(o2)c(cc2)1
CH$IUPAC: InChI=1S/C12H8O4/c1-14-10-6-12(13)16-11-5-9-7(2-3-15-9)4-8(10)11/h2-6H,1H3
CH$LINK: INCHIKEY IFBJMRYEEKIECT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00187466

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-0890000000-f8903e1e0b7bd470403f
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  89 9 90
  117 5 50
  145 17 170
  158 16 160
  173 19 190
  188 40 400
  216 99.99 999
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//