ACCESSION: MSBNK-IPB_Halle-PB006303
RECORD_TITLE: Amentoflavone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.08.13, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 4341
COMMENT: CONFIDENCE confident structure

CH$NAME: Amentoflavone
CH$NAME: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃₀H₁₈O₁₀
CH$EXACT_MASS: 538.09000
CH$SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
CH$IUPAC: InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
CH$LINK: INCHIKEY YUSWMAULDXZHPY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5281600
CH$LINK: COMPTOX DTXSID20167225

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0000090000-a2ad9524a4b5b2c3f42f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  538.440 10.010 0
  538.624 10.010 0
  538.803 10.010 0
  539.090 10000.000 999
  539.448 10.010 0
  539.543 10.010 0
  539.677 10.010 0
  539.792 10.010 0
  540.092 2592.593 258
  540.236 10.010 0
  540.322 10.010 0
  541.095 270.270 26
//