MassBank Record: PB006306



 Amentoflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006306
RECORD_TITLE: Amentoflavone; LC-ESI-QTOF; MS2; CE:30 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 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0002390000-dbb1987153fe31c83ecd PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 121.026 10.020 0 153.017 70.140 6 242.057 10.020 0 251.029 10.020 0 269.039 30.060 2 270.049 180.361 17 271.056 40.080 3 283.056 180.361 17 284.063 20.040 1 307.054 110.220 10 308.057 20.040 1 311.051 160.321 15 312.052 10.020 0 319.056 30.060 2 321.072 10.020 0 333.068 20.040 1 335.050 420.842 41 336.053 50.100 4 337.036 20.040 1 343.084 10.020 0 345.071 60.120 5 347.050 120.240 11 349.063 10.020 0 353.069 20.040 1 355.040 10.020 0 359.051 80.160 7 361.029 30.060 2 375.044 50.100 4 376.052 50.100 4 377.059 1412.826 140 378.063 250.501 24 379.044 60.120 5 387.080 641.283 63 388.087 120.240 11 389.062 10.020 0 390.067 10.020 0 401.057 50.100 4 403.039 2354.709 234 404.043 501.002 49 404.156 10.020 0 405.049 20.040 1 413.063 30.060 2 418.066 50.100 4 419.071 100.200 9 421.049 721.443 71 422.051 150.301 14 423.055 10.020 0 431.066 30.060 2 445.054 20.040 1 453.098 20.040 1 469.087 10.020 0 471.102 10.020 0 495.103 60.120 5 496.091 20.040 1 497.079 480.962 47 498.082 120.240 11 511.095 20.040 1 521.076 40.080 3 539.090 10000.000 999 539.221 10.020 0 539.320 10.020 0 539.420 20.040 1 539.495 10.020 0 539.603 10.020 0 539.715 10.020 0 539.796 10.020 0 540.093 2945.892 293 540.274 20.040 1 540.350 10.020 0 541.096 300.601 29 //