ピーク情報

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Peak #6359 MN MID: SE199_S41_M90

m/z: 445.14935, RT: 64.82, 強度: 19548, ログ強度: 0.70, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (20 names) Daidzein G 2;7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(2-O-methylrhamnoside);Ecbolin A;Pratensin B;(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyra...

DBごとのヒット数: ALL 15 KG 1 KN 12 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: -

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C23H24O9	444.14203	0.094	Daidzein G 2	KNApSAcK: C00019374
C23H24O9	444.14203	0.094	Ecbolin A	KNApSAcK: C00037085
C23H24O9	444.14203	0.094	Pratensin B	FlavonoidViewer: FL5FGANI0001 KNApSAcK: C00004933 LipidMAPS: LMPK12113304
C23H24O9	444.14203	0.094	Isovolubilin	FlavonoidViewer: FLIACBCS0001 KNApSAcK: C00006153 LipidMAPS: LMPK12050354
C23H24O9	444.14203	0.094	(1S,2R,7aR,13aR)-2,3,13,13a-Tetrahydro-1,2,7a-trihydroxy-9,10-dimethoxy-3,3-dimethyl-1H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one	KNApSAcK: C00019216
C23H24O9	444.14203	0.094	5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate	FlavonoidViewer: FL5FGANI0002 KNApSAcK: C00004934 LipidMAPS: LMPK12113305
C23H24O9	444.14203	0.094	Brevipolide E	KNApSAcK: C00047407
C23H24O9	444.14203	0.094	1,3-Diferuloylglycerol	HMDB: HMDB0303032
C23H24O9	444.14203	0.094	Rhinacanthin F	KNApSAcK: C00000709
C23H24O9	444.14203	0.094	(-)-5-Methoxypodophyllotoxin	KNApSAcK: C00000654
C23H24O9	444.14203	0.094	Rubiginosin A	KNApSAcK: C00045050
C23H24O9	444.14203	0.094	Volubilin	FlavonoidViewer: FLIACBCS0002 KNApSAcK: C00006154 LipidMAPS: LMPK12050355
C23H24O9	444.14203	0.094	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside	FlavonoidViewer: FL3FBBCS0001 KNApSAcK: C00006147 LipidMAPS: LMPK12110957
C15H28O11N2S	444.14138	1.561	1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol	KEGG: C19703
C24H25O5SF	444.14067	3.154	Canagliflozin	HMDB: HMDB0249580

MSnスペクトル情報

Level: 2, プリカーサーm/z: 445.14807

Splash: splash10-004i-0046900000-6fa59547d6ce71a877af

m/z	Int.	NL	Rel.Int.
427.26	751	18	1000
251.17	367	194	489
321.22	237	124	315
329.09	148	116	197
353.18	51	92	68
177.03	44	268	59
331.03	41	114	55
399.27	38	46	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Flavone	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH, 1OMe)	Flavone	3'-O-Methylderhamnosylmaysin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH, 1OMe)	Flavone	6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diosmetin
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethenoflavone	Artomunoxanthentrione
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Isovolubilin
[Isoflavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OMe)	Isoflavone	Volubilin

Level: 3, プリカーサーm/z: 427.25565

Splash: splash10-004i-0900000000-1b38a624a835b702720a

m/z	Int.	NL	Rel.Int.
177.02	341	250	1000
145.00	48	282	139

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
[Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl))	Flavan 3-ol	Afzelechin 3-O-gallate
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Gallocatechin 3-O-p-hydroxybenzoate
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Dihydrochalcone	2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone
[Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH)	Dihydrochalcone	3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone
[Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH)	Dihydrochalcone	4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone
[Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone VIII
[Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none)	Flavanone	Tephrorin A
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH)	Flavanone	Kushenol T
[Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin E
[Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavan	Broussoflavan A
[6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxyrotenone	Villosin
[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Dalbinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	Villosinol
[12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	11-Hydroxytephrosin