MassBank Record: PB006303



 Amentoflavone; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM CID:5281600
AC$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 //