ピーク情報

モロヘイヤ茎葉生

pos

Peak #3870 MN MID: SE120_S062931_M90

m/z: 513.13972, RT: 51.71, 強度: 7086, ログ強度: 0.46, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: (11 names) 3-Caffeoyl-4-feruloylquinic acid;Juspurpurin;1-Caffeoyl-5-feruloylquinic acid;Macroantoin G;Luteolin 3'-methyl ether 7-(6''-crotonylglucoside);Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate);7-(beta-...

DBごとのヒット数: ALL 10 KN 6 HM 4

FlavonoidSearch最大スコア MS2: -, MS3: 0.143

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
C26H26O12	530.14243	1.103	3-Caffeoyl-4-feruloylquinic acid	HMDB: HMDB0037092 KNApSAcK: C00055232
C26H26O12	530.14243	1.103	1-Caffeoyl-5-feruloylquinic acid	HMDB: HMDB0041642
C26H26O12	530.14243	1.103	Juspurpurin	KNApSAcK: C00051091
C26H26O12	530.14243	1.103	Luteolin 3'-methyl ether 7-(6''-crotonylglucoside)	FlavonoidViewer: FL3FADGS0018 KNApSAcK: C00004352 LipidMAPS: LMPK12110784
C26H26O12	530.14243	1.103	Macroantoin G	KNApSAcK: C00043178
C26H26O12	530.14243	1.103	Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate)	FlavonoidViewer: FL3FACGS0083 KNApSAcK: C00013668 LipidMAPS: LMPK12110717
C26H26O12	530.14243	1.103	Macroantoin F	KNApSAcK: C00049080
C26H26O12	530.14243	1.103	1-Feruloyl-5-caffeoylquinic acid	HMDB: HMDB0041643
C26H26O12	530.14243	1.103	4-O-Caffeoyl-3-O-feruloylquinic acid	HMDB: HMDB0033008
C26H26O12	530.14243	1.103	Formononetin 7-(6''-methylmalonylglucoside)	HMDB: HMDB0029494

MSnスペクトル情報

Level: 2, プリカーサーm/z: 513.13928

Splash: splash10-00or-0907000000-48d96f1cea5528803372

m/z	Int.	NL	Rel.Int.
177.03	4435	336	1000
319.11	3221	194	726
333.15	1683	180	379
162.90	1277	350	287
144.87	251	368	56

Level: 3, プリカーサーm/z: 176.97849

Splash: splash10-0006-0900000000-d38da12d2b1e77079c49

m/z	Int.	NL	Rel.Int.
144.96	2272	32	1000

Level: 3, プリカーサーm/z: 319.17639

Splash: splash10-03di-0900000000-8d63609bc2a0020ac613

m/z	Int.	NL	Rel.Int.
162.90	1346	156	1000
144.94	81	174	59
180.94	72	138	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Isoflavan]-A(2OH)-B(1OH, 2OMe)	Isoflavan	Bryaflavan
0.143	[Isoflavan]-A(2OH)-B(1OH, 2OMe)	Isoflavan	8-Demethylduartin
0.077	[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
0.077	[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	6-Methoxyeriodictyol
0.077	[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	8-Methoxyeriodictyol
0.050	[Flavonol]-A(3OH)-B(2OH)	Flavonol	Quercetagetin
0.050	[Flavonol]-A(3OH)-B(2OH)	Flavonol	Gossypetin
0.000	[Flavone]-A(3OH)-B(3OH)	Flavone	5,6,7,3',4',5'-Hexahydroxyflavone
0.000	[Flavone]-A(3OH)-B(3OH)	Flavone	5,7,8,3',4',5'-Hexahydroxyflavone
0.000	[Flavone]-A(4OH)-B(2OH)	Flavone	Bitalgenin
0.000	[Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH)	Dihydroflavonol	Taxifolin 3-methyl ether
0.000	[Anthocyanidin]-A(3OH)-B(3OH)	Anthocyanidin	6-Hydroxydelphinidin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-6-methoxyflavanone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	Dihydroisorhamnetin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	8-Methoxyfustin
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	3,5,2',3'-Tetrahydroxy-7-methoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	Taxifolin 5-methyl ether
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	Padmatin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 4'-methyl ether
0.000	[Dihydroflavonol]-A(1OH)-B(2OH, 1OMe)	Dihydroflavonol	Sepinol
0.000	[Flavanone]-A(3OH)-B(1OH, 1OMe)	Flavanone	8-Hydroxyhesperetin
0.000	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,3'-dimethyl ether
0.000	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 7,4'-dimethyl ether
0.000	[Flavan 3-ol]-A(2OH)-B(2OMe)	Flavan 3-ol	Catechin 3',4'-dimethyl ether
0.000	[Flavonol]-A(4OH)-B(1OH)	Flavonol	3,5,6,7,8,4'-Hexahydroxyflavone
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	3,5,8,3',4',5'-Hexahydroxyflavone
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	Myricetin
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	5'-Hydroxymorin
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	3,5,7,2',3',4'-Hexahydroxyflavone
0.000	[UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH)	UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone	Protofarrerol
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH)	Dihydroflavonol	6-Methyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH)	Dihydroflavonol	Deodarin
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH)	Flavan 4-ol	4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan
0.000	[Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe)	Isoflavanone-3-ol	Bolusanthin
0.000	[3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH)	3-substituted 2-Phenylbenzofuran	Norwedelic acid

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
	51.72	531.14987	18.0101	1.85	[M+H]+	(11 names) 3-Caffeoyl-4-feruloylquinic acid; Juspurpurin; 1-Caffeoyl-5-feruloylquinic acid; Macroantoin G; Luteolin 3'-methyl ether 7-(6''-crotonylglucoside); Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate); 7-(beta-...	ALL 10 KN 6 HM 4	MS2 MS3			15
3870	51.71	513.13972	0.0000	0.46	[M-H2O+H]+	(11 names) 3-Caffeoyl-4-feruloylquinic acid; Juspurpurin; 1-Caffeoyl-5-feruloylquinic acid; Macroantoin G; Luteolin 3'-methyl ether 7-(6''-crotonylglucoside); Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate); 7-(beta-...	ALL 10 KN 6 HM 4	MS2 MS3 x 2		0.143	11

ピーク情報

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MSnスペクトル情報

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