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MassBank Record: PT103970

7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT103970
RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone
CH$NAME: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CH$NAME: Ddze
CH$NAME: 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one
CH$NAME: Daidzein
CH$NAME: Daidzeol
CH$NAME: 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone
CH$NAME: 4',7-dihydroxyisoflavone
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Isoflavone CLASS3 Daidzein
CH$FORMULA: C15H10O4
CH$EXACT_MASS: 254.241
CH$SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
CH$IUPAC: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
CH$LINK: CAS 486-66-8
CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 255.06571

PK$SPLASH: splash10-0a4i-1790000000-de4c83c4c04f21356489
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  91.0574 1134.0 181
  128.0664 509.4 81
  137.0274 1349.0 215
  152.0669 973.0 155
  153.0748 688.9 110
  181.0704 1143.0 182
  199.0808 1460.0 233
  227.0766 646.1 103
  237.0619 329.0 52
  255.0657 6270.0 999
//

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