ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1722 MN MID: SE204_S03_M90

m/z: 493.13137, RT: 56.42, 強度: 3725, ログ強度: 0.18, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: Plumieride

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.083

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
C21H26O12	470.14243	-0.584	Plumieride	HMDB: HMDB0256647 KEGG: C09797 KNApSAcK: C00003096

MSnスペクトル情報

Level: 2, プリカーサーm/z: 493.13074

Splash: splash10-0002-0090200000-fbb80851e755270bcc92

m/z	Int.	NL	Rel.Int.
245.03	2263	248	1000
449.20	972	44	429
271.04	755	222	333

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Amorisin
[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Lespedezaflavanone E
[Flavone]-A(2OH, 1(C-Glu))-B(1OH, 2OMe)	Flavone	Isopyrenin
[Dihydrochalcone]-A(3OH, 1Geranyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Dihydrochalcone	2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl)	Flavanone	Nymphaeol C
[Flavanone]-A(2OH, 1Farnesyl)-B(2OH)	Flavanone	6-Farnesyl-3',4',5,7-tetrahydroxyflavanone
[Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH)	Flavanone	Kushenol B
[Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH)	Flavanone	Macrourone C
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1Geranyl)	Dihydroflavonol	Sanggenol C
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl)	Isoflavanone	Sophoraisoflavanone D

Level: 3, プリカーサーm/z: 449.19913

Splash: splash10-0006-0090000000-a6feb0c7a5252bef57e4

m/z	Int.	NL	Rel.Int.
244.98	352	204	1000
407.34	20	42	57

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Chalcone]-A(4OMe)-B(4OMe)	Chalcone	2,3,4,5,2',3',4',6'-Octamethoxychalcone
0.000	[Flavone]-A(4OMe)-B(1OH, 3OMe)	Flavone	Agehoustin C
0.000	[Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH)	Anthocyanidin	8-C-Glucosylcyanidin
0.000	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
0.000	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
0.000	[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
0.000	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
0.000	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
0.000	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
0.000	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	6-C-Galactosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	8-C-Galactosylluteolin
0.000	[Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Galactosylisoscutellarein
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartomunin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artomunoxanthone
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonol E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartomunoxanthone
0.000	[UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone	Artonin P
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Lonchocarpenin

Level: 3, プリカーサーm/z: 245.03403

Splash: splash10-00di-0900000000-821527c4dd29c985a6c9

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
	56.43	509.10533	15.9740	0.09	[M+K]+	Plumieride	ALL 1 KG 1	MS2 MS3	0.100	5
1722	56.42	493.13137	0.0000	0.18	[M+Na]+	Plumieride	ALL 1 KG 1	MS2 MS3 x 2	0.083	4
	56.42	488.17589	-4.9555	1.00	[M+NH4]+	Plumieride	ALL 1 KG 1	MS2 MS3	0.100	9

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MSnスペクトル情報

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