ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #7550 MN MID: SE205_S08_M90

m/z: 445.14932, RT: 67.01, 強度: 1666, ログ強度: -0.38, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

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: 0.190

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	0.019	Daidzein G 2	KNApSAcK: C00019374
C23H24O9	444.14203	0.019	Ecbolin A	KNApSAcK: C00037085
C23H24O9	444.14203	0.019	Pratensin B	FlavonoidViewer: FL5FGANI0001 KNApSAcK: C00004933 LipidMAPS: LMPK12113304
C23H24O9	444.14203	0.019	Isovolubilin	FlavonoidViewer: FLIACBCS0001 KNApSAcK: C00006153 LipidMAPS: LMPK12050354
C23H24O9	444.14203	0.019	(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	0.019	5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate	FlavonoidViewer: FL5FGANI0002 KNApSAcK: C00004934 LipidMAPS: LMPK12113305
C23H24O9	444.14203	0.019	Brevipolide E	KNApSAcK: C00047407
C23H24O9	444.14203	0.019	1,3-Diferuloylglycerol	HMDB: HMDB0303032
C23H24O9	444.14203	0.019	Rhinacanthin F	KNApSAcK: C00000709
C23H24O9	444.14203	0.019	(-)-5-Methoxypodophyllotoxin	KNApSAcK: C00000654
C23H24O9	444.14203	0.019	Rubiginosin A	KNApSAcK: C00045050
C23H24O9	444.14203	0.019	Volubilin	FlavonoidViewer: FLIACBCS0002 KNApSAcK: C00006154 LipidMAPS: LMPK12050355
C23H24O9	444.14203	0.019	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside	FlavonoidViewer: FL3FBBCS0001 KNApSAcK: C00006147 LipidMAPS: LMPK12110957
C15H28O11N2S	444.14138	1.487	1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol	KEGG: C19703
C24H25O5SF	444.14067	3.080	Canagliflozin	HMDB: HMDB0249580

MSnスペクトル情報

Level: 2, プリカーサーm/z: 445.14832

Splash: splash10-001i-0091300000-dc940cdf62cbf56a5d63

m/z	Int.	NL	Rel.Int.
283.13	1465	162	1000
427.18	304	18	207
307.02	212	138	144
426.30	134	19	91
189.05	85	256	57
409.18	76	36	51

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: 283.12872

Splash: splash10-052r-0920000000-d5c07023213ecb63b836

m/z	Int.	NL	Rel.Int.
189.01	476	94	1000
106.95	255	176	536
255.07	88	28	185
265.10	77	18	161
251.01	66	32	137

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.190	[Isoflavone]-A(1OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyldaidzein
0.136	[Isoflavone]-A(2OMe)-B(none)	Isoflavone	5,7-Dimethoxyisoflavone
0.111	[Coumestan]-A(1OH)-B(1OMe)	Coumestan	9-O-Methylcoumestrol
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	7,8-Dimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	5,6-Dimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(1OMe)	Flavone	6,3'-Dimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	chrysin 5,7-dimethyl ether
0.000	[Aurone]-A(1OH, 1([@@]-Methylenedioxy))-B(none)	Aurone	4,5-Methylenedioxy-6-hydroxyaurone
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone]-A(1OH, 3Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone	Ohobanin
0.000	[UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1([2,3:@@]-(5-Oxotetrahydrofurano)))-B(none)	UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone	Cryptocaryone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone alpha-ol	Castillene E
0.000	[Flavone]-A(1OH, 1Methyl)-B(1OMe)	Flavone	Saltillin
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavone	6-Methyltectochrysin
0.000	[Flavone]-A(2OH, 2Methyl)-B(none)	Flavone	Matteuorien
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(none)	Flavonol	3,7-Dimethoxyflavone
0.000	[Isoflavone]-A(1OH)-B(1OH, 1Formyl)	Isoflavone	Corylinal
0.000	[Isoflavone]-A(1OH)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin
0.000	[Pterocarpene]-A(1OMe)-B(1OMe)	Pterocarpene	Anhydrovariabilin
0.000	[Pterocarpene]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpene	3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene
0.000	[Coumestan]-A(1Methyl)-B(2OH)	Coumestan	8,9-Dihydroxy-1-methylcoumestan
0.000	[4-phenylcoumarin]-A(2OMe)-B(none)	4-phenylcoumarin	Methyldalbergin