ピーク情報

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pos

Peak #7854 MN MID: SE61_S21_M90

m/z: 471.14980, RT: 55.96, 強度: 532059, ログ強度: 2.14, アダクト: [M+H]+, 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: 0.095

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	0.197	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: 471.14972

Splash: splash10-0udi-0010900000-1b7faae98bbf5c484a72

m/z	Int.	NL	Rel.Int.
452.97	17468	18	1000
289.04	1223	182	69
270.96	1202	200	68
434.87	1111	36	63

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1([2,3:@@]-(5-Oxo-4-(1-Hydroxy-3-phenylallylidene)-4,5-dihydrofurano)))-B(none)	2'-Hydroxychalcone	Didymocalyxin B

Level: 3, プリカーサーm/z: 453.10080

Splash: splash10-0f6w-0977300000-a4d70988d736430f2cfe

m/z	Int.	NL	Rel.Int.
147.03	819	306	1000
351.17	482	102	588
291.09	443	162	540
435.12	289	18	352
271.08	187	182	228
309.05	155	144	188
417.23	61	36	74
289.05	53	164	65

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.095	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.038	[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
0.000	[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
0.000	[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate

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	FS2	FS3	共有数
	55.93	494.16603	23.0162	0.71	[M+ACN-H2O+H]+	Plumieride	ALL 1 KG 1				1
7854	55.96	471.14980	0.0000	2.14	[M+H]+	Plumieride	ALL 1 KG 1	MS2 MS3		0.095	4
	55.95	453.13907	-18.0107	2.44	[M-H2O+H]+	Plumieride	ALL 1 KG 1	MS2 MS3 x 2	0.095		3
	55.95	435.12887	-36.0209	0.89	[M-2(H2O)+H]+	Plumieride	ALL 1 KG 1				1

ピーク情報

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MSnスペクトル情報

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