MassBank Record: MSBNK-IPB_Halle-PB006306
ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM
CID:5281600
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$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
//