485-63-2

3',4',7-Trihydroxyisoflavone(485-63-2) MS

Product Name3',4',7-Trihydroxyisoflavone

CAS 485-63-2

Molecular FormulaC15H10O5

Molecular Weight270.24

InChIInChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H

InChIKey DDKGKOOLFLYZDL-UHFFFAOYSA-N

SmilesC1OC2=CC(O)=CC=C2C(=O)C=1C1=CC=C(O)C(O)=C1

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IR1

IR2

3',4',7-Trihydroxyisoflavone(485-63-2) MS
Mass

MS-IW-3249          
3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
C15H10O5 H2O        (Mass of molecular ion:    270)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.0
      39.0       2.1
      50.0       1.4
      51.0       3.8
      52.0       2.4
      53.0       1.9
      55.0       1.0
      62.0       3.4
      63.0       3.4
      65.0       1.0
      69.0       2.1
      75.0       1.7
      76.0       1.0
      77.0       1.8
      78.0       1.2
      80.0       1.9
      81.0       2.3
      84.0       1.5
      87.0       1.1
      88.0       5.3
      92.0       1.0
      95.0       1.3
     105.0       2.5
     108.0       3.4
     109.0       1.3
     112.0      12.5
     112.5       1.9
     116.0       1.3
     126.0       6.2
     126.5       1.1
     134.0      25.5
     135.0       2.8
     136.0       3.1
     137.0      56.2
     138.0       4.7
     139.0       2.6
     186.0       1.0
     197.0       1.1
     213.0       9.1
     214.0       5.1
     241.0       2.9
     242.0       1.4
     251.0       1.9
     253.0       2.0
     269.0      22.4
     270.0     100.0
     271.0      16.5
     272.0       2.5

KBr disc