MassBank Record: MSBNK-IPB_Halle-PB006305
ACCESSION: MSBNK-IPB_Halle-PB006305
RECORD_TITLE: Amentoflavone; LC-ESI-QTOF; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0000090000-3d45e3164b8d5d4877f0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
335.048 10.020 0
377.061 40.080 3
387.080 20.040 1
403.042 90.180 8
421.052 20.040 1
497.081 10.020 0
538.613 10.020 0
538.764 10.020 0
538.881 10.020 0
539.090 10000.000 999
539.332 10.020 0
539.437 10.020 0
539.513 20.040 1
539.639 10.020 0
539.818 10.020 0
539.928 10.020 0
540.093 2815.631 280
540.349 10.020 0
540.482 10.020 0
540.712 10.020 0
541.097 280.561 27
//